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

15
Patents

139.1361 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.143376 128.8
[M+Na]+ 162.125318 132.2
[M-H]- 138.128824 125.5
[M+NH4]+ 157.169923 154.7
[M+K]+ 178.099258 130.3
[M+H-H2O]+ 122.133360 124.7
[M+HCOO]- 184.134301 142.0
[M+CH3COO]- 198.149951 139.9
[M+Na-2H]- 160.110766 140.5
[M]+ 139.13555142 127.2
[M]- 139.13664858 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