CID 3032614

Stauffer r-10632

Structural Information

Molecular Formula
C11H12N2O2
SMILES
CNC(=O)OC1=CC=C(C=C1)CCC#N
InChI
InChI=1S/C11H12N2O2/c1-13-11(14)15-10-6-4-9(5-7-10)3-2-8-12/h4-7H,2-3H2,1H3,(H,13,14)
InChIKey
NEBGLASHEJDBJB-UHFFFAOYSA-N
Compound name
[4-(2-cyanoethyl)phenyl] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.08987 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.09715 146.7
[M+Na]+ 227.07909 155.4
[M-H]- 203.08259 149.8
[M+NH4]+ 222.12369 163.5
[M+K]+ 243.05303 152.9
[M+H-H2O]+ 187.08713 133.8
[M+HCOO]- 249.08807 167.5
[M+CH3COO]- 263.10372 198.9
[M+Na-2H]- 225.06454 151.5
[M]+ 204.08932 142.9
[M]- 204.09042 142.9
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.