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]+ 216.097876 143.0
[M+Na]+ 238.079818 148.1
[M-H]- 214.083324 147.7
[M+NH4]+ 233.124423 164.2
[M+K]+ 254.053758 144.6
[M+H-H2O]+ 198.087860 142.3
[M+HCOO]- 260.088801 170.0
[M+CH3COO]- 274.104451 184.1
[M+Na-2H]- 236.065266 149.9
[M]+ 215.09005142 140.6
[M]- 215.09114858 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.