CID 36247

14-methylpentadecanoic acid

Structural Information

Molecular Formula
C16H32O2
SMILES
CC(C)CCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C16H32O2/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16(17)18/h15H,3-14H2,1-2H3,(H,17,18)
InChIKey
ZONJATNKKGGVSU-UHFFFAOYSA-N
Compound name
14-methylpentadecanoic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

17
References

7729
Patents

256.24023 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.24751 168.5
[M+Na]+ 279.22945 175.9
[M+NH4]+ 274.27405 174.2
[M+K]+ 295.20339 169.5
[M-H]- 255.23295 166.5
[M+Na-2H]- 277.21490 168.7
[M]+ 256.23968 168.7
[M]- 256.24078 168.7
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