CID 26273

Stauffer r-11782

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]+ 191.08151 143.6
[M+Na]+ 213.06345 154.4
[M+NH4]+ 208.10805 147.7
[M+K]+ 229.03739 145.6
[M-H]- 189.06695 138.1
[M+Na-2H]- 211.04890 147.1
[M]+ 190.07368 142.5
[M]- 190.07478 142.5
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

No patent data available for this compound.