CID 56352

3-phenylpropyl isopropylcarbamate

Structural Information

Molecular Formula
C13H19NO2
SMILES
CC(C)NC(=O)OCCCC1=CC=CC=C1
InChI
InChI=1S/C13H19NO2/c1-11(2)14-13(15)16-10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,14,15)
InChIKey
PDSSUGSZBIOTAE-UHFFFAOYSA-N
Compound name
3-phenylpropyl N-propan-2-ylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

221.14159 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14887 153.2
[M+Na]+ 244.13081 157.8
[M-H]- 220.13431 156.1
[M+NH4]+ 239.17541 171.1
[M+K]+ 260.10475 156.3
[M+H-H2O]+ 204.13885 146.3
[M+HCOO]- 266.13979 176.1
[M+CH3COO]- 280.15544 191.7
[M+Na-2H]- 242.11626 156.9
[M]+ 221.14104 154.5
[M]- 221.14214 154.5
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