CID 8204

Guanidine, dodecyl-

Structural Information

Molecular Formula

C₁₃H₂₉N₃

SMILES

CCCCCCCCCCCCN=C(N)N

InChI

InChI=1S/C13H29N3/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15/h2-12H2,1H3,(H4,14,15,16)

InChIKey

HILAYQUKKYWPJW-UHFFFAOYSA-N

Compound name

2-dodecylguanidine

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 62
References: 41933
Patents: 227.23615 Da
Monoisotopic Mass: 4.3
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]+	228.24343	161.1
[M+Na]+	250.22537	163.4
[M-H]-	226.22887	160.4
[M+NH4]+	245.26997	178.6
[M+K]+	266.19931	161.4
[M+H-H2O]+	210.23341	153.8
[M+HCOO]-	272.23435	185.1
[M+CH3COO]-	286.25000	203.7
[M+Na-2H]-	248.21082	162.2
[M]+	227.23560	161.0
[M]-	227.23670	161.0

Literature stripe

literature stripe

Patent stripe

patents stripe