CID 3060814

78293-45-5

Structural Information

Molecular Formula

C₉H₁₇N

SMILES

CCNC1CCCC2C1C2

InChI

InChI=1S/C9H17N/c1-2-10-9-5-3-4-7-6-8(7)9/h7-10H,2-6H2,1H3

InChIKey

VWKGTVYDQISRES-UHFFFAOYSA-N

Compound name

N-ethylbicyclo[4.1.0]heptan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 139.1361 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]+	140.143376	129.9
[M+Na]+	162.125318	137.5
[M-H]-	138.128824	134.8
[M+NH4]+	157.169923	147.7
[M+K]+	178.099258	134.9
[M+H-H2O]+	122.133360	124.1
[M+HCOO]-	184.134301	151.2
[M+CH3COO]-	198.149951	181.8
[M+Na-2H]-	160.110766	137.0
[M]+	139.13555142	129.1
[M]-	139.13664858	129.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.