CID 136045771

Ethyl 2-(hydroxyimino)-3-oxobutanoate

Structural Information

Molecular Formula
C6H9NO4
SMILES
CCOC(=O)/C(=C(\C)/O)/N=O
InChI
InChI=1S/C6H9NO4/c1-3-11-6(9)5(7-10)4(2)8/h8H,3H2,1-2H3/b5-4-
InChIKey
HVTHITHXCDMTDK-PLNGDYQASA-N
Compound name
ethyl (Z)-3-hydroxy-2-nitrosobut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

159.05316 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.060436 131.0
[M+Na]+ 182.042378 137.6
[M-H]- 158.045884 131.6
[M+NH4]+ 177.086983 151.4
[M+K]+ 198.016318 138.9
[M+H-H2O]+ 142.050420 126.0
[M+HCOO]- 204.051361 154.5
[M+CH3COO]- 218.067011 178.5
[M+Na-2H]- 180.027826 134.7
[M]+ 159.05261142 133.1
[M]- 159.05370858 133.1
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