CID 69339

Palmitic anhydride

Structural Information

Molecular Formula
C32H62O3
SMILES
CCCCCCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCCCCCC
InChI
InChI=1S/C32H62O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(33)35-32(34)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3
InChIKey
QWZBEFCPZJWDKC-UHFFFAOYSA-N
Compound name
hexadecanoyl hexadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

2681
Patents

494.4699 Da
Monoisotopic Mass

14.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.47718 239.2
[M+Na]+ 517.45912 246.0
[M-H]- 493.46262 224.1
[M+NH4]+ 512.50372 240.4
[M+K]+ 533.43306 245.5
[M+H-H2O]+ 477.46716 240.1
[M+HCOO]- 539.46810 246.5
[M+CH3COO]- 553.48375 248.3
[M+Na-2H]- 515.44457 225.4
[M]+ 494.46935 240.2
[M]- 494.47045 240.2
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