CID 11401236

51255-23-3

Structural Information

Molecular Formula
C7H11NO5
SMILES
CCO/C=C(/C(=O)OCC)\[N+](=O)[O-]
InChI
InChI=1S/C7H11NO5/c1-3-12-5-6(8(10)11)7(9)13-4-2/h5H,3-4H2,1-2H3/b6-5-
InChIKey
NCRBAZRGVXAEOT-WAYWQWQTSA-N
Compound name
ethyl (Z)-3-ethoxy-2-nitroprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

189.06372 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.070996 139.3
[M+Na]+ 212.052938 145.5
[M-H]- 188.056444 139.6
[M+NH4]+ 207.097543 158.1
[M+K]+ 228.026878 142.2
[M+H-H2O]+ 172.060980 138.9
[M+HCOO]- 234.061921 163.3
[M+CH3COO]- 248.077571 175.4
[M+Na-2H]- 210.038386 144.4
[M]+ 189.06317142 141.2
[M]- 189.06426858 141.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe