CID 129981407

2-oxa-8-azaspiro[4.5]decane-3-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C9H15NO3
SMILES
C1CNCCC12CC(OC2)C(=O)O
InChI
InChI=1S/C9H15NO3/c11-8(12)7-5-9(6-13-7)1-3-10-4-2-9/h7,10H,1-6H2,(H,11,12)
InChIKey
NLLPTHLUWIPXCQ-UHFFFAOYSA-N
Compound name
2-oxa-8-azaspiro[4.5]decane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.1052 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.11248 141.3
[M+Na]+ 208.09442 145.6
[M-H]- 184.09792 142.6
[M+NH4]+ 203.13902 160.5
[M+K]+ 224.06836 144.5
[M+H-H2O]+ 168.10246 135.7
[M+HCOO]- 230.10340 155.4
[M+CH3COO]- 244.11905 172.3
[M+Na-2H]- 206.07987 144.9
[M]+ 185.10465 133.7
[M]- 185.10575 133.7
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.