CID 6421650

Carbonic acid, phenyl tetradecyl ester

Structural Information

Molecular Formula
C21H34O3
SMILES
CCCCCCCCCCCCCCOC(=O)OC1=CC=CC=C1
InChI
InChI=1S/C21H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-23-21(22)24-20-17-14-13-15-18-20/h13-15,17-18H,2-12,16,19H2,1H3
InChIKey
IDMGLOPCYDADNB-UHFFFAOYSA-N
Compound name
phenyl tetradecyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

334.2508 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.25808 188.6
[M+Na]+ 357.24002 190.9
[M-H]- 333.24352 189.9
[M+NH4]+ 352.28462 202.2
[M+K]+ 373.21396 187.4
[M+H-H2O]+ 317.24806 180.2
[M+HCOO]- 379.24900 209.0
[M+CH3COO]- 393.26465 211.9
[M+Na-2H]- 355.22547 189.0
[M]+ 334.25025 195.7
[M]- 334.25135 195.7
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