CID 9570927

2-azidoacetophenone oxime-o-(n-methylcarbamate)

Structural Information

Molecular Formula
C10H11N5O2
SMILES
CNC(=O)O/N=C(/CN=[N+]=[N-])\C1=CC=CC=C1
InChI
InChI=1S/C10H11N5O2/c1-12-10(16)17-14-9(7-13-15-11)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,12,16)/b14-9-
InChIKey
ZYTNPMGTHDGSSS-ZROIWOOFSA-N
Compound name
[(E)-(2-azido-1-phenylethylidene)amino] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.09128 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.09856 147.9
[M+Na]+ 256.08050 152.0
[M-H]- 232.08400 155.0
[M+NH4]+ 251.12510 165.2
[M+K]+ 272.05444 147.4
[M+H-H2O]+ 216.08854 143.8
[M+HCOO]- 278.08948 181.0
[M+CH3COO]- 292.10513 198.4
[M+Na-2H]- 254.06595 157.8
[M]+ 233.09073 146.2
[M]- 233.09183 146.2
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.