CID 20789

(beta-methylphenethyl)carbamic acid 2-hydroxyethyl ester

Structural Information

Molecular Formula
C12H17NO3
SMILES
CC(CNC(=O)OCCO)C1=CC=CC=C1
InChI
InChI=1S/C12H17NO3/c1-10(11-5-3-2-4-6-11)9-13-12(15)16-8-7-14/h2-6,10,14H,7-9H2,1H3,(H,13,15)
InChIKey
ICWSHDGEMYAGOW-UHFFFAOYSA-N
Compound name
2-hydroxyethyl N-(2-phenylpropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.12085 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.12813 151.8
[M+Na]+ 246.11007 161.2
[M+NH4]+ 241.15467 158.4
[M+K]+ 262.08401 156.2
[M-H]- 222.11357 152.5
[M+Na-2H]- 244.09552 156.5
[M]+ 223.12030 153.0
[M]- 223.12140 153.0
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

No patent data available for this compound.