CID 101104635

4-(dimethylamino)bicyclo[2.2.2]octane-1-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C11H19NO2
SMILES
CN(C)C12CCC(CC1)(CC2)C(=O)O
InChI
InChI=1S/C11H19NO2/c1-12(2)11-6-3-10(4-7-11,5-8-11)9(13)14/h3-8H2,1-2H3,(H,13,14)
InChIKey
BZUQEBLDGGPFQE-UHFFFAOYSA-N
Compound name
4-(dimethylamino)bicyclo[2.2.2]octane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.14159 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.14887 147.1
[M+Na]+ 220.13081 150.4
[M-H]- 196.13431 143.4
[M+NH4]+ 215.17541 173.8
[M+K]+ 236.10475 149.3
[M+H-H2O]+ 180.13885 142.7
[M+HCOO]- 242.13979 157.6
[M+CH3COO]- 256.15544 191.6
[M+Na-2H]- 218.11626 157.8
[M]+ 197.14104 147.4
[M]- 197.14214 147.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.