CID 22049662

1-azabicyclo[2.2.1]heptan-3-amine dihydrochloride

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

130
Patents

112.10005 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.107326 122.7
[M+Na]+ 135.089268 130.0
[M-H]- 111.092774 123.8
[M+NH4]+ 130.133873 148.8
[M+K]+ 151.063208 128.8
[M+H-H2O]+ 95.097310 117.6
[M+HCOO]- 157.098251 144.2
[M+CH3COO]- 171.113901 136.5
[M+Na-2H]- 133.074716 127.3
[M]+ 112.09950142 118.7
[M]- 112.10059858 118.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe