CID 26273

4-(cyanomethyl)phenyl methylcarbamate

Structural Information

Molecular Formula
C10H10N2O2
SMILES
CNC(=O)OC1=CC=C(C=C1)CC#N
InChI
InChI=1S/C10H10N2O2/c1-12-10(13)14-9-4-2-8(3-5-9)6-7-11/h2-5H,6H2,1H3,(H,12,13)
InChIKey
FNEGSGBSEOKQPB-UHFFFAOYSA-N
Compound name
[4-(cyanomethyl)phenyl] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.07423 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.081506 142.7
[M+Na]+ 213.063448 151.8
[M-H]- 189.066954 146.0
[M+NH4]+ 208.108053 160.1
[M+K]+ 229.037388 149.6
[M+H-H2O]+ 173.071490 130.0
[M+HCOO]- 235.072431 163.8
[M+CH3COO]- 249.088081 196.2
[M+Na-2H]- 211.048896 148.0
[M]+ 190.07368142 138.6
[M]- 190.07477858 138.6
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.