CID 211172

Hydrazinoisobutyric acid

Structural Information

Molecular Formula

C₄H₁₀N₂O₂

SMILES

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

InChI

InChI=1S/C4H10N2O2/c1-4(2,6-5)3(7)8/h6H,5H2,1-2H3,(H,7,8)

InChIKey

OSQXEXBYIJCVCH-UHFFFAOYSA-N

Compound name

2-hydrazinyl-2-methylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 80
Patents: 118.07423 Da
Monoisotopic Mass: -3.0
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]+	119.081506	123.3
[M+Na]+	141.063448	129.6
[M-H]-	117.066954	122.2
[M+NH4]+	136.108053	144.2
[M+K]+	157.037388	129.7
[M+H-H2O]+	101.071490	119.0
[M+HCOO]-	163.072431	145.7
[M+CH3COO]-	177.088081	171.8
[M+Na-2H]-	139.048896	129.5
[M]+	118.07368142	120.2
[M]-	118.07477858	120.2

Literature stripe

literature stripe

Patent stripe

patents stripe