CID 175556

2-decyltetradecanoic acid

Structural Information

Molecular Formula
C24H48O2
SMILES
CCCCCCCCCCCCC(CCCCCCCCCC)C(=O)O
InChI
InChI=1S/C24H48O2/c1-3-5-7-9-11-13-14-16-18-20-22-23(24(25)26)21-19-17-15-12-10-8-6-4-2/h23H,3-22H2,1-2H3,(H,25,26)
InChIKey
OYXVDHZABMXCMX-UHFFFAOYSA-N
Compound name
2-decyltetradecanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1192
Patents

368.36542 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.372696 206.8
[M+Na]+ 391.354638 205.9
[M-H]- 367.358144 202.3
[M+NH4]+ 386.399243 218.5
[M+K]+ 407.328578 201.3
[M+H-H2O]+ 351.362680 199.2
[M+HCOO]- 413.363621 221.7
[M+CH3COO]- 427.379271 223.0
[M+Na-2H]- 389.340086 201.2
[M]+ 368.36487142 213.8
[M]- 368.36596858 213.8
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

patents stripe