CID 9577973

Benzeneacetonitrile, alpha-((((dimethylamino)carbonyl)oxy)imino)-c145

Structural Information

Molecular Formula
C11H11N3O2
SMILES
CN(C)C(=O)O/N=C(/C#N)\C1=CC=CC=C1
InChI
InChI=1S/C11H11N3O2/c1-14(2)11(15)16-13-10(8-12)9-6-4-3-5-7-9/h3-7H,1-2H3/b13-10-
InChIKey
OLJIJBWFHVOPFH-RAXLEYEMSA-N
Compound name
[(E)-[cyano(phenyl)methylidene]amino] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.08513 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.09241 152.8
[M+Na]+ 240.07435 162.3
[M+NH4]+ 235.11895 156.4
[M+K]+ 256.04829 154.1
[M-H]- 216.07785 147.8
[M+Na-2H]- 238.05980 156.1
[M]+ 217.08458 151.6
[M]- 217.08568 151.6
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.