CID 20535

4466-50-6

Structural Information

Molecular Formula

C₅H₁₂N₂O

SMILES

CC(C)NNC(=O)C

InChI

InChI=1S/C5H12N2O/c1-4(2)6-7-5(3)8/h4,6H,1-3H3,(H,7,8)

InChIKey

BCKXMOHZATYPNV-UHFFFAOYSA-N

Compound name

N'-propan-2-ylacetohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 84
Patents: 116.09496 Da
Monoisotopic Mass: 0.1
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]+	117.10224	125.5
[M+Na]+	139.08418	131.3
[M-H]-	115.08768	126.0
[M+NH4]+	134.12878	147.5
[M+K]+	155.05812	132.0
[M+H-H2O]+	99.092220	120.4
[M+HCOO]-	161.09316	150.0
[M+CH3COO]-	175.10881	175.9
[M+Na-2H]-	137.06963	130.8
[M]+	116.09441	124.0
[M]-	116.09551	124.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe