CID 29492

Hexadecylguanidine monohydrochloride

Structural Information

Molecular Formula

C₁₇H₃₇N₃

SMILES

CCCCCCCCCCCCCCCCN=C(N)N

InChI

InChI=1S/C17H37N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17(18)19/h2-16H2,1H3,(H4,18,19,20)

InChIKey

FZRWLIOCKSFGRG-UHFFFAOYSA-N

Compound name

2-hexadecylguanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
Patents: 283.29874 Da
Monoisotopic Mass: 6.4
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]+	284.30602	178.6
[M+Na]+	306.28796	179.1
[M-H]-	282.29146	177.1
[M+NH4]+	301.33256	193.8
[M+K]+	322.26190	176.1
[M+H-H2O]+	266.29600	170.5
[M+HCOO]-	328.29694	201.2
[M+CH3COO]-	342.31259	215.8
[M+Na-2H]-	304.27341	177.6
[M]+	283.29819	180.0
[M]-	283.29929	180.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe