CID 13849

Pentadecanoic acid

Structural Information

Molecular Formula
C15H30O2
SMILES
CCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)
InChIKey
WQEPLUUGTLDZJY-UHFFFAOYSA-N
Compound name
pentadecanoic acid
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

173
References

64967
Patents

242.22458 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.23186 165.9
[M+Na]+ 265.21380 169.0
[M-H]- 241.21730 163.1
[M+NH4]+ 260.25840 182.8
[M+K]+ 281.18774 166.2
[M+H-H2O]+ 225.22184 159.9
[M+HCOO]- 287.22278 184.9
[M+CH3COO]- 301.23843 195.5
[M+Na-2H]- 263.19925 166.3
[M]+ 242.22403 170.2
[M]- 242.22513 170.2
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