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

5
Patents

221.14159 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.148866 153.2
[M+Na]+ 244.130808 157.8
[M-H]- 220.134314 156.1
[M+NH4]+ 239.175413 171.1
[M+K]+ 260.104748 156.3
[M+H-H2O]+ 204.138850 146.3
[M+HCOO]- 266.139791 176.1
[M+CH3COO]- 280.155441 191.7
[M+Na-2H]- 242.116256 156.9
[M]+ 221.14104142 154.5
[M]- 221.14213858 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