CID 9570362

Union carbide uc-23395

Structural Information

Molecular Formula
C7H13N3O4
SMILES
C/C(=N\OC(=O)NC)/C(C)(C)[N+](=O)[O-]
InChI
InChI=1S/C7H13N3O4/c1-5(7(2,3)10(12)13)9-14-6(11)8-4/h1-4H3,(H,8,11)/b9-5+
InChIKey
AOPFWACZRPAAQD-WEVVVXLNSA-N
Compound name
[(E)-(3-methyl-3-nitrobutan-2-ylidene)amino] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.0906 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.09788 140.9
[M+Na]+ 226.07982 146.2
[M-H]- 202.08332 142.9
[M+NH4]+ 221.12442 159.3
[M+K]+ 242.05376 143.8
[M+H-H2O]+ 186.08786 140.2
[M+HCOO]- 248.08880 166.6
[M+CH3COO]- 262.10445 185.1
[M+Na-2H]- 224.06527 148.4
[M]+ 203.09005 141.0
[M]- 203.09115 141.0
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.