CID 84647669

1-azabicyclo[2.2.1]heptan-4-amine dihydrochloride

Structural Information

Molecular Formula
C6H12N2
SMILES
C1CN2CCC1(C2)N
InChI
InChI=1S/C6H12N2/c7-6-1-3-8(5-6)4-2-6/h1-5,7H2
InChIKey
SODHSOBDAKZNBA-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.1]heptan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

112.10005 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.10733 122.6
[M+Na]+ 135.08927 130.0
[M-H]- 111.09277 123.7
[M+NH4]+ 130.13387 150.4
[M+K]+ 151.06321 128.7
[M+H-H2O]+ 95.097310 117.7
[M+HCOO]- 157.09825 144.1
[M+CH3COO]- 171.11390 136.5
[M+Na-2H]- 133.07472 128.9
[M]+ 112.09950 118.4
[M]- 112.10060 118.4
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