CID 81373

6945-36-4

Structural Information

Molecular Formula

SMILES

CC(=NO)CCC(=O)O

InChI

InChI=1S/C5H9NO3/c1-4(6-9)2-3-5(7)8/h9H,2-3H2,1H3,(H,7,8)

InChIKey

AESJFNDOKWHJAH-UHFFFAOYSA-N

Compound name

4-hydroxyiminopentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 131.05824 Da
Monoisotopic Mass: -0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	132.06552	125.9
[M+Na]+	154.04746	132.4
[M-H]-	130.05096	125.0
[M+NH4]+	149.09206	146.8
[M+K]+	170.02140	132.5
[M+H-H2O]+	114.05550	121.2
[M+HCOO]-	176.05644	148.7
[M+CH3COO]-	190.07209	171.5
[M+Na-2H]-	152.03291	130.6
[M]+	131.05769	125.6
[M]-	131.05879	125.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe