CID 12201519

1-azabicyclo[2.2.2]octan-4-amine dihydrochloride

Structural Information

Molecular Formula
C7H14N2
SMILES
C1CN2CCC1(CC2)N
InChI
InChI=1S/C7H14N2/c8-7-1-4-9(5-2-7)6-3-7/h1-6,8H2
InChIKey
DBPHZCRAKOJSMX-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

282
Patents

126.1157 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.12298 126.0
[M+Na]+ 149.10492 130.6
[M-H]- 125.10842 121.0
[M+NH4]+ 144.14952 152.5
[M+K]+ 165.07886 128.8
[M+H-H2O]+ 109.11296 120.9
[M+HCOO]- 171.11390 138.0
[M+CH3COO]- 185.12955 137.0
[M+Na-2H]- 147.09037 139.2
[M]+ 126.11515 123.4
[M]- 126.11625 123.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe