CID 71384704

2-hydroxyhexadecyl hexadecanoate

Structural Information

Molecular Formula
C32H64O3
SMILES
CCCCCCCCCCCCCCCC(=O)OCC(CCCCCCCCCCCCCC)O
InChI
InChI=1S/C32H64O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32(34)35-30-31(33)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31,33H,3-30H2,1-2H3
InChIKey
QQWGYOFOZDNGPY-UHFFFAOYSA-N
Compound name
2-hydroxyhexadecyl hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

496.48553 Da
Monoisotopic Mass

14.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.49281 241.0
[M+Na]+ 519.47475 246.1
[M-H]- 495.47825 224.6
[M+NH4]+ 514.51935 239.5
[M+K]+ 535.44869 246.1
[M+H-H2O]+ 479.48279 240.6
[M+HCOO]- 541.48373 245.7
[M+CH3COO]- 555.49938 247.1
[M+Na-2H]- 517.46020 225.8
[M]+ 496.48498 240.8
[M]- 496.48608 240.8
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