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]+ 182.19032 143.5
[M+Na]+ 204.17226 151.1
[M-H]- 180.17576 144.9
[M+NH4]+ 199.21686 170.1
[M+K]+ 220.14620 148.7
[M+H-H2O]+ 164.18030 138.8
[M+HCOO]- 226.18124 160.3
[M+CH3COO]- 240.19689 184.7
[M+Na-2H]- 202.15771 148.4
[M]+ 181.18249 141.9
[M]- 181.18359 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.