CID 20890

1-isopropylbiguanide hydrochloride

Structural Information

Molecular Formula

C₅H₁₃N₅

SMILES

CC(C)N=C(N)N=C(N)N

InChI

InChI=1S/C5H13N5/c1-3(2)9-5(8)10-4(6)7/h3H,1-2H3,(H6,6,7,8,9,10)

InChIKey

UBBHRFLEDZWRNR-UHFFFAOYSA-N

Compound name

1-(diaminomethylidene)-2-propan-2-ylguanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 180
Patents: 143.1171 Da
Monoisotopic Mass: -1.1
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]+	144.12438	133.1
[M+Na]+	166.10632	137.4
[M-H]-	142.10982	135.0
[M+NH4]+	161.15092	153.3
[M+K]+	182.08026	138.6
[M+H-H2O]+	126.11436	126.1
[M+HCOO]-	188.11530	160.6
[M+CH3COO]-	202.13095	191.3
[M+Na-2H]-	164.09177	135.5
[M]+	143.11655	127.0
[M]-	143.11765	127.0

Literature stripe

literature stripe

Patent stripe

patents stripe