CID 20142919

N-methylbicyclo[2.2.2]octan-2-amine hydrochloride

Structural Information

Molecular Formula
C9H17N
SMILES
CNC1CC2CCC1CC2
InChI
InChI=1S/C9H17N/c1-10-9-6-7-2-4-8(9)5-3-7/h7-10H,2-6H2,1H3
InChIKey
KOVMBBLCRKNEQZ-UHFFFAOYSA-N
Compound name
N-methylbicyclo[2.2.2]octan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

139.1361 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.14338 128.8
[M+Na]+ 162.12532 132.2
[M-H]- 138.12882 125.5
[M+NH4]+ 157.16992 154.7
[M+K]+ 178.09926 130.3
[M+H-H2O]+ 122.13336 124.7
[M+HCOO]- 184.13430 142.0
[M+CH3COO]- 198.14995 139.9
[M+Na-2H]- 160.11077 140.5
[M]+ 139.13555 127.2
[M]- 139.13665 127.2
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