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

literature stripe

Patent stripe

patents stripe