CID 5360628

Dtxsid30878996

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-UITAMQMPSA-N
Compound name
[(Z)-(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]+ 204.097876 140.9
[M+Na]+ 226.079818 146.2
[M-H]- 202.083324 142.9
[M+NH4]+ 221.124423 159.3
[M+K]+ 242.053758 143.8
[M+H-H2O]+ 186.087860 140.2
[M+HCOO]- 248.088801 166.6
[M+CH3COO]- 262.104451 185.1
[M+Na-2H]- 224.065266 148.4
[M]+ 203.09005142 141.0
[M]- 203.09114858 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.