CID 80559460

N1-phenylcyclobutane-1,3-diamine hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₄N₂

SMILES

C1C(CC1NC2=CC=CC=C2)N

InChI

InChI=1S/C10H14N2/c11-8-6-10(7-8)12-9-4-2-1-3-5-9/h1-5,8,10,12H,6-7,11H2

InChIKey

GBSQTJGURRRNCR-UHFFFAOYSA-N

Compound name

1-N-phenylcyclobutane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 162.11569 Da
Monoisotopic Mass: 1.6
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]+	163.122966	133.5
[M+Na]+	185.104908	138.0
[M-H]-	161.108414	139.4
[M+NH4]+	180.149513	146.8
[M+K]+	201.078848	138.7
[M+H-H2O]+	145.112950	121.2
[M+HCOO]-	207.113891	157.2
[M+CH3COO]-	221.129541	186.0
[M+Na-2H]-	183.090356	139.6
[M]+	162.11514142	137.5
[M]-	162.11623858	137.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe