CID 13422

3-ethyl-1,8,8-trimethyl-3-azabicyclo(3.2.1)octane hydrochloride

Structural Information

Molecular Formula
C12H23N
SMILES
CCN1CC2CCC(C1)(C2(C)C)C
InChI
InChI=1S/C12H23N/c1-5-13-8-10-6-7-12(4,9-13)11(10,2)3/h10H,5-9H2,1-4H3
InChIKey
LYWACNKBDPHYMN-UHFFFAOYSA-N
Compound name
3-ethyl-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.18304 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.190316 143.5
[M+Na]+ 204.172258 151.1
[M-H]- 180.175764 144.9
[M+NH4]+ 199.216863 170.1
[M+K]+ 220.146198 148.7
[M+H-H2O]+ 164.180300 138.8
[M+HCOO]- 226.181241 160.3
[M+CH3COO]- 240.196891 184.7
[M+Na-2H]- 202.157706 148.4
[M]+ 181.18249142 141.9
[M]- 181.18358858 141.9
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.