CID 81423008

Bicyclo[4.2.0]octan-7-amine hydrochloride

Structural Information

Molecular Formula

C₈H₁₅N

SMILES

C1CCC2C(C1)CC2N

InChI

InChI=1S/C8H15N/c9-8-5-6-3-1-2-4-7(6)8/h6-8H,1-5,9H2

InChIKey

NTHUTVZYZXXSOR-UHFFFAOYSA-N

Compound name

bicyclo[4.2.0]octan-7-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 125.12045 Da
Monoisotopic Mass: 1.8
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]+	126.12773	123.6
[M+Na]+	148.10967	128.0
[M-H]-	124.11317	127.0
[M+NH4]+	143.15427	139.9
[M+K]+	164.08361	129.6
[M+H-H2O]+	108.11771	113.5
[M+HCOO]-	170.11865	142.7
[M+CH3COO]-	184.13430	177.9
[M+Na-2H]-	146.09512	129.4
[M]+	125.11990	126.2
[M]-	125.12100	126.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe