CID 39461

46819-60-7

Structural Information

Molecular Formula

C₁₃H₁₅N₃O

SMILES

C1=CC=C2C=C(C=CC2=C1)OCCN=C(N)N

InChI

InChI=1S/C13H15N3O/c14-13(15)16-7-8-17-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8H2,(H4,14,15,16)

InChIKey

NXKXIGPZLVLLLH-UHFFFAOYSA-N

Compound name

2-(2-naphthalen-2-yloxyethyl)guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 229.1215 Da
Monoisotopic Mass: 1.9
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]+	230.128776	149.3
[M+Na]+	252.110718	155.3
[M-H]-	228.114224	153.9
[M+NH4]+	247.155323	167.5
[M+K]+	268.084658	152.2
[M+H-H2O]+	212.118760	141.8
[M+HCOO]-	274.119701	175.2
[M+CH3COO]-	288.135351	199.6
[M+Na-2H]-	250.096166	156.4
[M]+	229.12095142	147.6
[M]-	229.12204858	147.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe