CID 9614318

Ethyl 2-hydroxyiminopropionate

Structural Information

Molecular Formula
C5H9NO3
SMILES
CCOC(=O)/C(=N/O)/C
InChI
InChI=1S/C5H9NO3/c1-3-9-5(7)4(2)6-8/h8H,3H2,1-2H3/b6-4+
InChIKey
BJBDPHKMAMMTFW-GQCTYLIASA-N
Compound name
ethyl (2E)-2-hydroxyiminopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

131.05824 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.06552 125.3
[M+Na]+ 154.04746 132.3
[M-H]- 130.05096 125.9
[M+NH4]+ 149.09206 147.0
[M+K]+ 170.02140 133.4
[M+H-H2O]+ 114.05550 120.4
[M+HCOO]- 176.05644 149.6
[M+CH3COO]- 190.07209 173.4
[M+Na-2H]- 152.03291 130.6
[M]+ 131.05769 126.8
[M]- 131.05879 126.8
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