CID 221795

2-cyanoethyl n-phenylcarbamate

Structural Information

Molecular Formula
C10H10N2O2
SMILES
C1=CC=C(C=C1)NC(=O)OCCC#N
InChI
InChI=1S/C10H10N2O2/c11-7-4-8-14-10(13)12-9-5-2-1-3-6-9/h1-3,5-6H,4,8H2,(H,12,13)
InChIKey
FWJPVEDCJHXQIJ-UHFFFAOYSA-N
Compound name
2-cyanoethyl N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

190.07423 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.08151 143.0
[M+Na]+ 213.06345 151.3
[M-H]- 189.06695 145.8
[M+NH4]+ 208.10805 160.0
[M+K]+ 229.03739 148.9
[M+H-H2O]+ 173.07149 129.9
[M+HCOO]- 235.07243 164.0
[M+CH3COO]- 249.08808 195.2
[M+Na-2H]- 211.04890 148.9
[M]+ 190.07368 138.5
[M]- 190.07478 138.5
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