CID 123238

3-aminoquinuclidine

Structural Information

Molecular Formula
C7H14N2
SMILES
C1CN2CCC1C(C2)N
InChI
InChI=1S/C7H14N2/c8-7-5-9-3-1-6(7)2-4-9/h6-7H,1-5,8H2
InChIKey
REUAXQZIRFXQML-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

3100
Patents

126.1157 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.12298 124.9
[M+Na]+ 149.10492 129.2
[M-H]- 125.10842 119.9
[M+NH4]+ 144.14952 149.7
[M+K]+ 165.07886 127.6
[M+H-H2O]+ 109.11296 120.2
[M+HCOO]- 171.11390 136.9
[M+CH3COO]- 185.12955 135.9
[M+Na-2H]- 147.09037 136.7
[M]+ 126.11515 122.3
[M]- 126.11625 122.3
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