CID 3015038

Decylguanidine monohydrochloride

Structural Information

Molecular Formula

C₁₁H₂₅N₃

SMILES

CCCCCCCCCCN=C(N)N

InChI

InChI=1S/C11H25N3/c1-2-3-4-5-6-7-8-9-10-14-11(12)13/h2-10H2,1H3,(H4,12,13,14)

InChIKey

UUKBYINNKKOHPH-UHFFFAOYSA-N

Compound name

2-decylguanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 105
Patents: 199.20485 Da
Monoisotopic Mass: 3.2
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]+	200.212126	152.3
[M+Na]+	222.194068	155.4
[M-H]-	198.197574	152.0
[M+NH4]+	217.238673	170.9
[M+K]+	238.168008	153.9
[M+H-H2O]+	182.202110	145.4
[M+HCOO]-	244.203051	176.9
[M+CH3COO]-	258.218701	197.6
[M+Na-2H]-	220.179516	154.4
[M]+	199.20430142	151.4
[M]-	199.20539858	151.4

Literature stripe

literature stripe

Patent stripe

patents stripe