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]+ 205.097146 146.7
[M+Na]+ 227.079088 155.4
[M-H]- 203.082594 149.8
[M+NH4]+ 222.123693 163.5
[M+K]+ 243.053028 152.9
[M+H-H2O]+ 187.087130 133.8
[M+HCOO]- 249.088071 167.5
[M+CH3COO]- 263.103721 198.9
[M+Na-2H]- 225.064536 151.5
[M]+ 204.08932142 142.9
[M]- 204.09041858 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.