CID 4461118

(n-hydroxycarbamimidoyl)-acetic acid ethyl ester

Structural Information

Molecular Formula
C5H10N2O3
SMILES
CCOC(=O)CC(=NO)N
InChI
InChI=1S/C5H10N2O3/c1-2-10-5(8)3-4(6)7-9/h9H,2-3H2,1H3,(H2,6,7)
InChIKey
WJDYAEIVFPVODA-UHFFFAOYSA-N
Compound name
ethyl 3-amino-3-hydroxyiminopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

146.06914 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.076416 129.7
[M+Na]+ 169.058358 135.8
[M-H]- 145.061864 129.7
[M+NH4]+ 164.102963 150.1
[M+K]+ 185.032298 136.5
[M+H-H2O]+ 129.066400 124.2
[M+HCOO]- 191.067341 154.4
[M+CH3COO]- 205.082991 177.8
[M+Na-2H]- 167.043806 134.0
[M]+ 146.06859142 129.3
[M]- 146.06968858 129.3
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