CID 24798717

2-hydroxy-3-methylhexadecanoic acid

Structural Information

Molecular Formula
C17H34O3
SMILES
CCCCCCCCCCCCCC(C)C(C(=O)O)O
InChI
InChI=1S/C17H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16(18)17(19)20/h15-16,18H,3-14H2,1-2H3,(H,19,20)
InChIKey
HNRNFABXNZGOFG-UHFFFAOYSA-N
Compound name
2-hydroxy-3-methylhexadecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

286.2508 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.25808 179.3
[M+Na]+ 309.24002 180.6
[M-H]- 285.24352 174.8
[M+NH4]+ 304.28462 193.5
[M+K]+ 325.21396 178.0
[M+H-H2O]+ 269.24806 173.1
[M+HCOO]- 331.24900 194.3
[M+CH3COO]- 345.26465 202.5
[M+Na-2H]- 307.22547 175.6
[M]+ 286.25025 182.5
[M]- 286.25135 182.5
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.