CID 9576065

Union carbide uc-23527

Structural Information

Molecular Formula
C8H13N3O4
SMILES
CC\1(CCC/C1=N\OC(=O)NC)[N+](=O)[O-]
InChI
InChI=1S/C8H13N3O4/c1-8(11(13)14)5-3-4-6(8)10-15-7(12)9-2/h3-5H2,1-2H3,(H,9,12)/b10-6+
InChIKey
AIFXNTVHNKCKJL-UXBLZVDNSA-N
Compound name
[(E)-(2-methyl-2-nitrocyclopentylidene)amino] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.0906 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.09788 145.9
[M+Na]+ 238.07982 152.9
[M+NH4]+ 233.12442 153.4
[M+K]+ 254.05376 151.9
[M-H]- 214.08332 147.5
[M+Na-2H]- 236.06527 149.8
[M]+ 215.09005 146.7
[M]- 215.09115 146.7
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.