CID 83826230

2402837-30-1

Structural Information

Molecular Formula

C₉H₁₇N

SMILES

C1CC2CC2C(C1)CCN

InChI

InChI=1S/C9H17N/c10-5-4-7-2-1-3-8-6-9(7)8/h7-9H,1-6,10H2

InChIKey

XFZMEJTZPTYOMV-UHFFFAOYSA-N

Compound name

2-(2-bicyclo[4.1.0]heptanyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 139.1361 Da
Monoisotopic Mass: 2.1
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]+	140.14338	129.7
[M+Na]+	162.12532	137.3
[M-H]-	138.12882	134.1
[M+NH4]+	157.16992	147.3
[M+K]+	178.09926	134.4
[M+H-H2O]+	122.13336	124.0
[M+HCOO]-	184.13430	150.5
[M+CH3COO]-	198.14995	181.2
[M+Na-2H]-	160.11077	135.8
[M]+	139.13555	128.0
[M]-	139.13665	128.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe