CID 9576066

Union carbide uc-23746

Structural Information

Molecular Formula
C9H15N3O4
SMILES
CC\1(CCCC/C1=N\OC(=O)NC)[N+](=O)[O-]
InChI
InChI=1S/C9H15N3O4/c1-9(12(14)15)6-4-3-5-7(9)11-16-8(13)10-2/h3-6H2,1-2H3,(H,10,13)/b11-7+
InChIKey
STAJLSVITSEGNF-YRNVUSSQSA-N
Compound name
[(E)-(2-methyl-2-nitrocyclohexylidene)amino] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.10626 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.11354 146.5
[M+Na]+ 252.09548 150.5
[M-H]- 228.09898 150.8
[M+NH4]+ 247.14008 165.4
[M+K]+ 268.06942 147.0
[M+H-H2O]+ 212.10352 145.4
[M+HCOO]- 274.10446 171.2
[M+CH3COO]- 288.12011 187.6
[M+Na-2H]- 250.08093 153.7
[M]+ 229.10571 142.7
[M]- 229.10681 142.7
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.