CID 5067946

3-methylbutanimidamide hydrochloride

Structural Information

Molecular Formula

C₅H₁₂N₂

SMILES

CC(C)CC(=N)N

InChI

InChI=1S/C5H12N2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H3,6,7)

InChIKey

NWMAYMXDONWXTE-UHFFFAOYSA-N

Compound name

3-methylbutanimidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 205
Patents: 100.10005 Da
Monoisotopic Mass: 0.5
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]+	101.10733	122.0
[M+Na]+	123.08927	130.2
[M+NH4]+	118.13387	129.9
[M+K]+	139.06321	126.1
[M-H]-	99.092774	122.3
[M+Na-2H]-	121.07472	125.4
[M]+	100.09950	122.8
[M]-	100.10060	122.8

Literature stripe

literature stripe

Patent stripe

patents stripe