CID 203426

3-alpha-chloronortropane hydrochloride

Structural Information

Molecular Formula
C7H12ClN
SMILES
C1C[C@H]2CC(C[C@@H]1N2)Cl
InChI
InChI=1S/C7H12ClN/c8-5-3-6-1-2-7(4-5)9-6/h5-7,9H,1-4H2/t5?,6-,7+
InChIKey
JAAQCSBOELNTHH-DGUCWDHESA-N
Compound name
(1R,5S)-3-chloro-8-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.06583 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.07311 130.8
[M+Na]+ 168.05505 138.0
[M-H]- 144.05855 130.2
[M+NH4]+ 163.09965 154.4
[M+K]+ 184.02899 133.8
[M+H-H2O]+ 128.06309 126.2
[M+HCOO]- 190.06403 143.1
[M+CH3COO]- 204.07968 143.1
[M+Na-2H]- 166.04050 135.7
[M]+ 145.06528 126.4
[M]- 145.06638 126.4
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

No patent data available for this compound.