CID 91424

2-methylpentadecanoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

486
Patents

256.24023 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.247506 171.0
[M+Na]+ 279.229448 173.5
[M-H]- 255.232954 168.2
[M+NH4]+ 274.274053 187.3
[M+K]+ 295.203388 171.0
[M+H-H2O]+ 239.237490 165.0
[M+HCOO]- 301.238431 188.7
[M+CH3COO]- 315.254081 199.3
[M+Na-2H]- 277.214896 169.6
[M]+ 256.23968142 175.1
[M]- 256.24077858 175.1
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