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]+ 186.112476 141.3
[M+Na]+ 208.094418 145.6
[M-H]- 184.097924 142.6
[M+NH4]+ 203.139023 160.5
[M+K]+ 224.068358 144.5
[M+H-H2O]+ 168.102460 135.7
[M+HCOO]- 230.103401 155.4
[M+CH3COO]- 244.119051 172.3
[M+Na-2H]- 206.079866 144.9
[M]+ 185.10465142 133.7
[M]- 185.10574858 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.