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]+ 212.16451 149.6
[M+Na]+ 234.14645 152.0
[M-H]- 210.14995 154.3
[M+NH4]+ 229.19105 163.5
[M+K]+ 250.12039 154.6
[M+H-H2O]+ 194.15449 139.0
[M+HCOO]- 256.15543 166.5
[M+CH3COO]- 270.17108 193.5
[M+Na-2H]- 232.13190 151.5
[M]+ 211.15668 153.6
[M]- 211.15778 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.