CID 56935914

Tetradecyl 14-methyl-hexadecanoate

Structural Information

Molecular Formula
C31H62O2
SMILES
CCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC(C)CC
InChI
InChI=1S/C31H62O2/c1-4-6-7-8-9-10-11-14-17-20-23-26-29-33-31(32)28-25-22-19-16-13-12-15-18-21-24-27-30(3)5-2/h30H,4-29H2,1-3H3
InChIKey
SHRFXVBIXVRAEC-UHFFFAOYSA-N
Compound name
tetradecyl 14-methylhexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.47498 Da
Monoisotopic Mass

14.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.48226 237.4
[M+Na]+ 489.46420 242.8
[M-H]- 465.46770 219.7
[M+NH4]+ 484.50880 236.1
[M+K]+ 505.43814 228.6
[M+H-H2O]+ 449.47224 228.3
[M+HCOO]- 511.47318 242.7
[M+CH3COO]- 525.48883 245.2
[M+Na-2H]- 487.44965 228.6
[M]+ 466.47443 237.3
[M]- 466.47553 237.3
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.