CID 25311

Tridecanal

Structural Information

Molecular Formula
C13H26O
SMILES
CCCCCCCCCCCCC=O
InChI
InChI=1S/C13H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h13H,2-12H2,1H3
InChIKey
BGEHHAVMRVXCGR-UHFFFAOYSA-N
Compound name
tridecanal
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

9
References

12390
Patents

198.19836 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.20564 152.3
[M+Na]+ 221.18758 156.9
[M-H]- 197.19108 151.4
[M+NH4]+ 216.23218 171.9
[M+K]+ 237.16152 154.8
[M+H-H2O]+ 181.19562 146.7
[M+HCOO]- 243.19656 174.3
[M+CH3COO]- 257.21221 189.6
[M+Na-2H]- 219.17303 155.7
[M]+ 198.19781 157.1
[M]- 198.19891 157.1
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.