CID 29841

19866-38-7

Structural Information

Molecular Formula

C₅H₁₂N₂O₂

SMILES

CC(C)C(C(=O)O)NN

InChI

InChI=1S/C5H12N2O2/c1-3(2)4(7-6)5(8)9/h3-4,7H,6H2,1-2H3,(H,8,9)

InChIKey

PMQMQIALVIXUTQ-UHFFFAOYSA-N

Compound name

2-hydrazinyl-3-methylbutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 132.08987 Da
Monoisotopic Mass: -2.3
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]+	133.097146	129.5
[M+Na]+	155.079088	134.5
[M-H]-	131.082594	128.1
[M+NH4]+	150.123693	149.6
[M+K]+	171.053028	134.9
[M+H-H2O]+	115.087130	124.4
[M+HCOO]-	177.088071	151.1
[M+CH3COO]-	191.103721	176.4
[M+Na-2H]-	153.064536	131.8
[M]+	132.08932142	125.9
[M]-	132.09041858	125.9

Literature stripe

literature stripe

Patent stripe

patents stripe