CID 22049662

1187932-51-9

Structural Information

Molecular Formula

C₆H₁₂N₂

SMILES

C1CN2CC1C(C2)N

InChI

InChI=1S/C6H12N2/c7-6-4-8-2-1-5(6)3-8/h5-6H,1-4,7H2

InChIKey

LZEPFDKCZQKGBT-UHFFFAOYSA-N

Compound name

1-azabicyclo[2.2.1]heptan-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 109
Patents: 112.10005 Da
Monoisotopic Mass: -0.4
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]+	113.10733	121.7
[M+Na]+	135.08927	129.8
[M+NH4]+	130.13387	131.4
[M+K]+	151.06321	128.1
[M-H]-	111.09277	122.3
[M+Na-2H]-	133.07472	123.8
[M]+	112.09950	122.6
[M]-	112.10060	122.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe