CID 155973774

3-azaspiro[5.5]undecane-2-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C11H19NO2
SMILES
C1CCC2(CC1)CCNC(C2)C(=O)O
InChI
InChI=1S/C11H19NO2/c13-10(14)9-8-11(6-7-12-9)4-2-1-3-5-11/h9,12H,1-8H2,(H,13,14)
InChIKey
LNDYMVPLRGQZQA-UHFFFAOYSA-N
Compound name
3-azaspiro[5.5]undecane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.14159 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.148866 147.8
[M+Na]+ 220.130808 150.2
[M-H]- 196.134314 147.7
[M+NH4]+ 215.175413 165.8
[M+K]+ 236.104748 147.4
[M+H-H2O]+ 180.138850 141.3
[M+HCOO]- 242.139791 159.6
[M+CH3COO]- 256.155441 176.7
[M+Na-2H]- 218.116256 150.8
[M]+ 197.14104142 136.6
[M]- 197.14213858 136.6
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.