CID 6434083

Brn 2276857

Structural Information

Molecular Formula
C12H14N2O3
SMILES
C1=CC=C(C=C1)/C=C/C(=O)NCCOC(=O)N
InChI
InChI=1S/C12H14N2O3/c13-12(16)17-9-8-14-11(15)7-6-10-4-2-1-3-5-10/h1-7H,8-9H2,(H2,13,16)(H,14,15)/b7-6+
InChIKey
OPIPXANXUZVCGB-VOTSOKGWSA-N
Compound name
2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.10045 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.10773 153.1
[M+Na]+ 257.08967 157.8
[M-H]- 233.09317 155.6
[M+NH4]+ 252.13427 169.6
[M+K]+ 273.06361 155.5
[M+H-H2O]+ 217.09771 145.8
[M+HCOO]- 279.09865 177.3
[M+CH3COO]- 293.11430 192.9
[M+Na-2H]- 255.07512 156.7
[M]+ 234.09990 152.1
[M]- 234.10100 152.1
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.