CID 100994

Pentadecanoic acid, anhydride

Structural Information

Molecular Formula
C30H58O3
SMILES
CCCCCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCCCCC
InChI
InChI=1S/C30H58O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29(31)33-30(32)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3
InChIKey
FDFNBCUNAKLACI-UHFFFAOYSA-N
Compound name
pentadecanoyl pentadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

466.4386 Da
Monoisotopic Mass

13.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.44588 232.1
[M+Na]+ 489.42782 239.2
[M-H]- 465.43132 217.7
[M+NH4]+ 484.47242 233.4
[M+K]+ 505.40176 237.9
[M+H-H2O]+ 449.43586 225.2
[M+HCOO]- 511.43680 240.1
[M+CH3COO]- 525.45245 242.6
[M+Na-2H]- 487.41327 226.2
[M]+ 466.43805 233.2
[M]- 466.43915 233.2
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