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 147.8
[M+Na]+ 220.13081 150.2
[M-H]- 196.13431 147.7
[M+NH4]+ 215.17541 165.8
[M+K]+ 236.10475 147.4
[M+H-H2O]+ 180.13885 141.3
[M+HCOO]- 242.13979 159.6
[M+CH3COO]- 256.15544 176.7
[M+Na-2H]- 218.11626 150.8
[M]+ 197.14104 136.6
[M]- 197.14214 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.