CID 79610912

2-methoxy-n-methylpropanimidamide hydrochloride

Structural Information

Molecular Formula

C₅H₁₂N₂O

SMILES

CC(C(=NC)N)OC

InChI

InChI=1S/C5H12N2O/c1-4(8-3)5(6)7-2/h4H,1-3H3,(H2,6,7)

InChIKey

PLWUPFGAJXCPSH-UHFFFAOYSA-N

Compound name

2-methoxy-N'-methylpropanimidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 116.09496 Da
Monoisotopic Mass: -0.4
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]+	117.102236	125.2
[M+Na]+	139.084178	131.4
[M-H]-	115.087684	126.6
[M+NH4]+	134.128783	147.6
[M+K]+	155.058118	132.7
[M+H-H2O]+	99.092220	119.9
[M+HCOO]-	161.093161	150.6
[M+CH3COO]-	175.108811	177.8
[M+Na-2H]-	137.069626	130.0
[M]+	116.09441142	124.6
[M]-	116.09550858	124.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe