CID 171118889

2e,4e,6e,8e,10e,12e,14e,16e,18e,20e,22e-tetracosaundecaenal

Structural Information

Molecular Formula
C24H26O
SMILES
C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=O
InChI
InChI=1S/C24H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25/h2-24H,1H3/b3-2+,5-4+,7-6+,9-8+,11-10+,13-12+,15-14+,17-16+,19-18+,21-20+,23-22+
InChIKey
JREWNCGVXLSPBU-ZEQPNNLRSA-N
Compound name
(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E)-tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecaenal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.19836 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.20564 183.2
[M+Na]+ 353.18758 187.6
[M-H]- 329.19108 181.1
[M+NH4]+ 348.23218 197.6
[M+K]+ 369.16152 176.0
[M+H-H2O]+ 313.19562 177.0
[M+HCOO]- 375.19656 204.1
[M+CH3COO]- 389.21221 206.2
[M+Na-2H]- 351.17303 181.6
[M]+ 330.19781 183.7
[M]- 330.19891 183.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.