CID 35847

Tridecyl stearate

Structural Information

Molecular Formula
C31H62O2
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCC
InChI
InChI=1S/C31H62O2/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-31(32)33-30-28-26-24-22-20-14-12-10-8-6-4-2/h3-30H2,1-2H3
InChIKey
GKAVWWCJCPVMNR-UHFFFAOYSA-N
Compound name
tridecyl octadecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

4290
Patents

466.47498 Da
Monoisotopic Mass

14.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.48226 236.1
[M+Na]+ 489.46420 242.8
[M-H]- 465.46770 218.8
[M+NH4]+ 484.50880 235.1
[M+K]+ 505.43814 227.1
[M+H-H2O]+ 449.47224 226.8
[M+HCOO]- 511.47318 245.6
[M+CH3COO]- 525.48883 244.5
[M+Na-2H]- 487.44965 228.7
[M]+ 466.47443 237.9
[M]- 466.47553 237.9
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