CID 6420977

Carbonic acid, propyl tridecyl ester

Structural Information

Molecular Formula
C17H34O3
SMILES
CCCCCCCCCCCCCOC(=O)OCCC
InChI
InChI=1S/C17H34O3/c1-3-5-6-7-8-9-10-11-12-13-14-16-20-17(18)19-15-4-2/h3-16H2,1-2H3
InChIKey
KKEARFDBGNCEQS-UHFFFAOYSA-N
Compound name
propyl tridecyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

286.2508 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.258076 177.7
[M+Na]+ 309.240018 180.6
[M-H]- 285.243524 176.1
[M+NH4]+ 304.284623 193.8
[M+K]+ 325.213958 178.8
[M+H-H2O]+ 269.248060 171.0
[M+HCOO]- 331.249001 197.9
[M+CH3COO]- 345.264651 204.7
[M+Na-2H]- 307.225466 177.7
[M]+ 286.25025142 186.1
[M]- 286.25134858 186.1
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