CID 137944680

2-(dimethylamino)spiro[3.5]nonane-7-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C12H21NO2
SMILES
CN(C)C1CC2(C1)CCC(CC2)C(=O)O
InChI
InChI=1S/C12H21NO2/c1-13(2)10-7-12(8-10)5-3-9(4-6-12)11(14)15/h9-10H,3-8H2,1-2H3,(H,14,15)
InChIKey
MEQLARXNVJRKMX-UHFFFAOYSA-N
Compound name
2-(dimethylamino)spiro[3.5]nonane-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.15723 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.164506 149.6
[M+Na]+ 234.146448 152.0
[M-H]- 210.149954 154.3
[M+NH4]+ 229.191053 163.5
[M+K]+ 250.120388 154.6
[M+H-H2O]+ 194.154490 139.0
[M+HCOO]- 256.155431 166.5
[M+CH3COO]- 270.171081 193.5
[M+Na-2H]- 232.131896 151.5
[M]+ 211.15668142 153.6
[M]- 211.15777858 153.6
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.