CID 32023

Octadecylguanidine monohydrochloride

Structural Information

Molecular Formula

C₁₉H₄₁N₃

SMILES

CCCCCCCCCCCCCCCCCCN=C(N)N

InChI

InChI=1S/C19H41N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19(20)21/h2-18H2,1H3,(H4,20,21,22)

InChIKey

GLKRSFJCYTXIOF-UHFFFAOYSA-N

Compound name

2-octadecylguanidine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 297
Patents: 311.33005 Da
Monoisotopic Mass: 7.5
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]+	312.337326	187.2
[M+Na]+	334.319268	186.9
[M-H]-	310.322774	185.3
[M+NH4]+	329.363873	201.2
[M+K]+	350.293208	183.4
[M+H-H2O]+	294.327310	178.7
[M+HCOO]-	356.328251	209.1
[M+CH3COO]-	370.343901	221.8
[M+Na-2H]-	332.304716	185.2
[M]+	311.32950142	189.3
[M]-	311.33059858	189.3

Literature stripe

literature stripe

Patent stripe

patents stripe