CID 45791082

3-methylpentanimidamide hydrochloride

Structural Information

Molecular Formula

C₆H₁₄N₂

SMILES

CCC(C)CC(=N)N

InChI

InChI=1S/C6H14N2/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H3,7,8)

InChIKey

MONVAZUNBHXPRN-UHFFFAOYSA-N

Compound name

3-methylpentanimidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 114.1157 Da
Monoisotopic Mass: 1.0
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]+	115.122976	127.4
[M+Na]+	137.104918	132.7
[M-H]-	113.108424	127.2
[M+NH4]+	132.149523	149.2
[M+K]+	153.078858	132.4
[M+H-H2O]+	97.112960	122.3
[M+HCOO]-	159.113901	150.7
[M+CH3COO]-	173.129551	176.9
[M+Na-2H]-	135.090366	131.1
[M]+	114.11515142	123.9
[M]-	114.11624858	123.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe