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

12613
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

literature stripe

Patent stripe

patents stripe