CID 71300191

163032-71-1

Structural Information

Molecular Formula
C7H11N3O4
SMILES
CC(/C=C/C(=N/O)/C(=O)NC)[N+](=O)[O-]
InChI
InChI=1S/C7H11N3O4/c1-5(10(13)14)3-4-6(9-12)7(11)8-2/h3-5,12H,1-2H3,(H,8,11)/b4-3+,9-6-
InChIKey
CWGYZWDPEJIZAU-KXIWCOCFSA-N
Compound name
(E,2Z)-2-hydroxyimino-N-methyl-5-nitrohex-3-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

201.07495 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.082226 141.3
[M+Na]+ 224.064168 145.8
[M-H]- 200.067674 141.5
[M+NH4]+ 219.108773 158.7
[M+K]+ 240.038108 141.9
[M+H-H2O]+ 184.072210 140.0
[M+HCOO]- 246.073151 166.1
[M+CH3COO]- 260.088801 182.0
[M+Na-2H]- 222.049616 145.7
[M]+ 201.07440142 138.5
[M]- 201.07549858 138.5
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

patents stripe