CID 5312295

4-methyl-hexadecanoic acid

Structural Information

Molecular Formula
C17H34O2
SMILES
CCCCCCCCCCCCC(C)CCC(=O)O
InChI
InChI=1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-16(2)14-15-17(18)19/h16H,3-15H2,1-2H3,(H,18,19)
InChIKey
FWZFPYVAIYYOGZ-UHFFFAOYSA-N
Compound name
4-methylhexadecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

270.2559 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.26318 175.6
[M+Na]+ 293.24512 177.6
[M-H]- 269.24862 172.5
[M+NH4]+ 288.28972 191.3
[M+K]+ 309.21906 174.8
[M+H-H2O]+ 253.25316 169.3
[M+HCOO]- 315.25410 192.9
[M+CH3COO]- 329.26975 202.3
[M+Na-2H]- 291.23057 173.6
[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.