CID 57117319

N-methylbicyclo[2.2.2]octan-1-amine hydrochloride

Structural Information

Molecular Formula
C9H17N
SMILES
CNC12CCC(CC1)CC2
InChI
InChI=1S/C9H17N/c1-10-9-5-2-8(3-6-9)4-7-9/h8,10H,2-7H2,1H3
InChIKey
DRTZRHBFJIMXCF-UHFFFAOYSA-N
Compound name
N-methylbicyclo[2.2.2]octan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

139.1361 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.143376 130.2
[M+Na]+ 162.125318 133.8
[M-H]- 138.128824 126.8
[M+NH4]+ 157.169923 157.7
[M+K]+ 178.099258 131.7
[M+H-H2O]+ 122.133360 125.7
[M+HCOO]- 184.134301 143.3
[M+CH3COO]- 198.149951 141.3
[M+Na-2H]- 160.110766 143.2
[M]+ 139.13555142 128.5
[M]- 139.13664858 128.5
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