CID 3018460

2-tetradecyloctadecanoic acid

Structural Information

Molecular Formula
C32H64O2
SMILES
CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)O
InChI
InChI=1S/C32H64O2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-31(32(33)34)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h31H,3-30H2,1-2H3,(H,33,34)
InChIKey
FYYGCTQPBDNICZ-UHFFFAOYSA-N
Compound name
2-tetradecyloctadecanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

8013
Patents

480.49063 Da
Monoisotopic Mass

15.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.497906 238.4
[M+Na]+ 503.479848 244.0
[M-H]- 479.483354 221.3
[M+NH4]+ 498.524453 236.2
[M+K]+ 519.453788 244.2
[M+H-H2O]+ 463.487890 232.0
[M+HCOO]- 525.488831 242.9
[M+CH3COO]- 539.504481 246.1
[M+Na-2H]- 501.465296 231.4
[M]+ 480.49008142 238.4
[M]- 480.49117858 238.4
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