CID 22409

N-[(naphthalen-1-yl)methyl]guanidine hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₃N₃

SMILES

C1=CC=C2C(=C1)C=CC=C2CN=C(N)N

InChI

InChI=1S/C12H13N3/c13-12(14)15-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H4,13,14,15)

InChIKey

HNCIJEQEYCRDJX-UHFFFAOYSA-N

Compound name

2-(naphthalen-1-ylmethyl)guanidine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 22
Patents: 199.11095 Da
Monoisotopic Mass: 1.5
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]+	200.11823	143.5
[M+Na]+	222.10017	155.1
[M+NH4]+	217.14477	152.7
[M+K]+	238.07411	148.0
[M-H]-	198.10367	148.5
[M+Na-2H]-	220.08562	151.1
[M]+	199.11040	146.4
[M]-	199.11150	146.4

Literature stripe

literature stripe

Patent stripe

patents stripe