CID 122164336

7-oxa-2-azaspiro[3.5]nonane-1-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C8H13NO3
SMILES
C1COCCC12CNC2C(=O)O
InChI
InChI=1S/C8H13NO3/c10-7(11)6-8(5-9-6)1-3-12-4-2-8/h6,9H,1-5H2,(H,10,11)
InChIKey
LIMUTOGSLBPOFQ-UHFFFAOYSA-N
Compound name
7-oxa-2-azaspiro[3.5]nonane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

171.08954 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.09682 133.4
[M+Na]+ 194.07876 137.0
[M-H]- 170.08226 134.9
[M+NH4]+ 189.12336 145.0
[M+K]+ 210.05270 139.6
[M+H-H2O]+ 154.08680 123.0
[M+HCOO]- 216.08774 146.9
[M+CH3COO]- 230.10339 174.8
[M+Na-2H]- 192.06421 139.2
[M]+ 171.08899 136.0
[M]- 171.09009 136.0
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

patents stripe