CID 79344

5382-89-8

Structural Information

Molecular Formula
C5H9NO3
SMILES
CC(=NOCC(=O)O)C
InChI
InChI=1S/C5H9NO3/c1-4(2)6-9-3-5(7)8/h3H2,1-2H3,(H,7,8)
InChIKey
JZHMMFMMAKFDRT-UHFFFAOYSA-N
Compound name
2-(propan-2-ylideneamino)oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

86
Patents

131.05824 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.06552 126.1
[M+Na]+ 154.04746 134.6
[M+NH4]+ 149.09206 132.6
[M+K]+ 170.02140 131.3
[M-H]- 130.05096 124.5
[M+Na-2H]- 152.03291 128.8
[M]+ 131.05769 126.3
[M]- 131.05879 126.3
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