CID 171118890

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

Structural Information

Molecular Formula
C22H24O
SMILES
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/C22H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h2-22H,1H3/b3-2+,5-4+,7-6+,9-8+,11-10+,13-12+,15-14+,17-16+,19-18+,21-20+
InChIKey
HDHFOIMRXSGDAN-UHLKCJAGSA-N
Compound name
(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-docosa-2,4,6,8,10,12,14,16,18,20-decaenal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.1827 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.18998 176.3
[M+Na]+ 327.17192 181.1
[M-H]- 303.17542 174.5
[M+NH4]+ 322.21652 191.7
[M+K]+ 343.14586 170.6
[M+H-H2O]+ 287.17996 170.3
[M+HCOO]- 349.18090 197.6
[M+CH3COO]- 363.19655 201.6
[M+Na-2H]- 325.15737 175.7
[M]+ 304.18215 176.9
[M]- 304.18325 176.9
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.