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]+ 230.113536 146.5
[M+Na]+ 252.095478 150.5
[M-H]- 228.098984 150.8
[M+NH4]+ 247.140083 165.4
[M+K]+ 268.069418 147.0
[M+H-H2O]+ 212.103520 145.4
[M+HCOO]- 274.104461 171.2
[M+CH3COO]- 288.120111 187.6
[M+Na-2H]- 250.080926 153.7
[M]+ 229.10571142 142.7
[M]- 229.10680858 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.