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]+ 198.14887 148.3
[M+Na]+ 220.13081 156.9
[M+NH4]+ 215.17541 157.6
[M+K]+ 236.10475 149.7
[M-H]- 196.13431 149.4
[M+Na-2H]- 218.11626 153.0
[M]+ 197.14104 149.6
[M]- 197.14214 149.6
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.