CID 20576

2-ethyl-2-azabicyclo(2.2.1)heptane

Structural Information

Molecular Formula

C₈H₁₅N

SMILES

CCN1CC2CCC1C2

InChI

InChI=1S/C8H15N/c1-2-9-6-7-3-4-8(9)5-7/h7-8H,2-6H2,1H3

InChIKey

WCBKFFPLWHRVII-UHFFFAOYSA-N

Compound name

2-ethyl-2-azabicyclo[2.2.1]heptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 80
Patents: 125.12045 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]+	126.127726	129.2
[M+Na]+	148.109668	136.5
[M-H]-	124.113174	130.5
[M+NH4]+	143.154273	155.4
[M+K]+	164.083608	135.2
[M+H-H2O]+	108.117710	124.1
[M+HCOO]-	170.118651	149.6
[M+CH3COO]-	184.134301	172.5
[M+Na-2H]-	146.095116	133.1
[M]+	125.11990142	127.5
[M]-	125.12099858	127.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe