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

55
Patents

201.07495 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.08223 141.3
[M+Na]+ 224.06417 145.8
[M-H]- 200.06767 141.5
[M+NH4]+ 219.10877 158.7
[M+K]+ 240.03811 141.9
[M+H-H2O]+ 184.07221 140.0
[M+HCOO]- 246.07315 166.1
[M+CH3COO]- 260.08880 182.0
[M+Na-2H]- 222.04962 145.7
[M]+ 201.07440 138.5
[M]- 201.07550 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