CID 6419427

Pyruvatoxime

Structural Information

Molecular Formula
C3H5NO3
SMILES
C/C(=N\O)/C(=O)O
InChI
InChI=1S/C3H5NO3/c1-2(4-7)3(5)6/h7H,1H3,(H,5,6)/b4-2+
InChIKey
MVGBKLTYYAYYGY-DUXPYHPUSA-N
Compound name
(2E)-2-hydroxyiminopropanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

15
References

13
Patents

103.02694 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.03422 116.6
[M+Na]+ 126.01616 123.9
[M-H]- 102.01966 116.1
[M+NH4]+ 121.06076 138.5
[M+K]+ 141.99010 124.6
[M+H-H2O]+ 86.024200 112.3
[M+HCOO]- 148.02514 140.0
[M+CH3COO]- 162.04079 165.4
[M+Na-2H]- 124.00161 122.4
[M]+ 103.02639 115.5
[M]- 103.02749 115.5
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