CID 22111145

1-cyclopropyl-1-methylguanidine hydrochloride

Structural Information

Molecular Formula

C₅H₁₁N₃

SMILES

CN(C1CC1)C(=N)N

InChI

InChI=1S/C5H11N3/c1-8(5(6)7)4-2-3-4/h4H,2-3H2,1H3,(H3,6,7)

InChIKey

VQEFBYVSVOJUQJ-UHFFFAOYSA-N

Compound name

1-cyclopropyl-1-methylguanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 113.0953 Da
Monoisotopic Mass: -0.2
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]+	114.102576	120.8
[M+Na]+	136.084518	128.3
[M-H]-	112.088024	126.6
[M+NH4]+	131.129123	138.1
[M+K]+	152.058458	127.2
[M+H-H2O]+	96.092560	114.7
[M+HCOO]-	158.093501	147.5
[M+CH3COO]-	172.109151	182.6
[M+Na-2H]-	134.069966	126.9
[M]+	113.09475142	119.7
[M]-	113.09584858	119.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe