CID 133048847

9-pahma

Structural Information

Molecular Formula
C30H58O4
SMILES
CCCCCCCCCCCCCCCC(=O)OC(CCCCC)CCCCCCCC(=O)O
InChI
InChI=1S/C30H58O4/c1-3-5-7-8-9-10-11-12-13-14-15-19-23-27-30(33)34-28(24-20-6-4-2)25-21-17-16-18-22-26-29(31)32/h28H,3-27H2,1-2H3,(H,31,32)
InChIKey
ADZIVQSYWSLHHX-UHFFFAOYSA-N
Compound name
9-hexadecanoyloxytetradecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.4335 Da
Monoisotopic Mass

12.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.44078 232.6
[M+Na]+ 505.42272 238.6
[M-H]- 481.42622 219.9
[M+NH4]+ 500.46732 233.9
[M+K]+ 521.39666 237.9
[M+H-H2O]+ 465.43076 233.2
[M+HCOO]- 527.43170 236.5
[M+CH3COO]- 541.44735 243.2
[M+Na-2H]- 503.40817 219.2
[M]+ 482.43295 232.4
[M]- 482.43405 232.4
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

No patent data available for this compound.