CID 50475

Carbazic acid, 3-phenethyl-, (2-hydroxyethyl) ester

Structural Information

Molecular Formula
C11H16N2O3
SMILES
C1=CC=C(C=C1)CCNNC(=O)OCCO
InChI
InChI=1S/C11H16N2O3/c14-8-9-16-11(15)13-12-7-6-10-4-2-1-3-5-10/h1-5,12,14H,6-9H2,(H,13,15)
InChIKey
SVFQYQIICLUIQG-UHFFFAOYSA-N
Compound name
2-hydroxyethyl N-(2-phenylethylamino)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.11609 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.123366 149.4
[M+Na]+ 247.105308 153.7
[M-H]- 223.108814 151.1
[M+NH4]+ 242.149913 166.0
[M+K]+ 263.079248 151.8
[M+H-H2O]+ 207.113350 142.2
[M+HCOO]- 269.114291 173.7
[M+CH3COO]- 283.129941 189.5
[M+Na-2H]- 245.090756 155.5
[M]+ 224.11554142 149.4
[M]- 224.11663858 149.4
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.