CID 84647869

{bicyclo[4.1.0]heptan-3-yl}methanamine

Structural Information

Molecular Formula

C₈H₁₅N

SMILES

C1CC2CC2CC1CN

InChI

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

InChIKey

BQSDLOIDYJNUGB-UHFFFAOYSA-N

Compound name

3-bicyclo[4.1.0]heptanylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 125.12045 Da
Monoisotopic Mass: 1.4
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]+	126.127726	125.5
[M+Na]+	148.109668	133.5
[M-H]-	124.113174	130.1
[M+NH4]+	143.154273	143.6
[M+K]+	164.083608	130.8
[M+H-H2O]+	108.117710	120.0
[M+HCOO]-	170.118651	146.5
[M+CH3COO]-	184.134301	178.3
[M+Na-2H]-	146.095116	132.1
[M]+	125.11990142	123.4
[M]-	125.12099858	123.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe