CID 10465

Heptadecanoic acid

Structural Information

Molecular Formula
C17H34O2
SMILES
CCCCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19)
InChIKey
KEMQGTRYUADPNZ-UHFFFAOYSA-N
Compound name
heptadecanoic acid
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

197
References

48668
Patents

270.2559 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.26318 174.9
[M+Na]+ 293.24512 177.1
[M-H]- 269.24862 171.7
[M+NH4]+ 288.28972 190.7
[M+K]+ 309.21906 173.9
[M+H-H2O]+ 253.25316 168.5
[M+HCOO]- 315.25410 193.2
[M+CH3COO]- 329.26975 201.5
[M+Na-2H]- 291.23057 174.3
[M]+ 270.25535 180.0
[M]- 270.25645 180.0
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.