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 143.0
[M+Na]+ 238.07982 148.1
[M-H]- 214.08332 147.7
[M+NH4]+ 233.12442 164.2
[M+K]+ 254.05376 144.6
[M+H-H2O]+ 198.08786 142.3
[M+HCOO]- 260.08880 170.0
[M+CH3COO]- 274.10445 184.1
[M+Na-2H]- 236.06527 149.9
[M]+ 215.09005 140.6
[M]- 215.09115 140.6
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.