CID 64260299

1-(oxolan-3-yl)azetidine-3-carboxylic acid

Structural Information

Molecular Formula
C8H13NO3
SMILES
C1COCC1N2CC(C2)C(=O)O
InChI
InChI=1S/C8H13NO3/c10-8(11)6-3-9(4-6)7-1-2-12-5-7/h6-7H,1-5H2,(H,10,11)
InChIKey
CVHAZGXEAKWVLG-UHFFFAOYSA-N
Compound name
1-(oxolan-3-yl)azetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.08954 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.09682 130.7
[M+Na]+ 194.07876 134.6
[M-H]- 170.08226 134.7
[M+NH4]+ 189.12336 142.5
[M+K]+ 210.05270 138.0
[M+H-H2O]+ 154.08680 119.8
[M+HCOO]- 216.08774 147.8
[M+CH3COO]- 230.10339 178.1
[M+Na-2H]- 192.06421 133.5
[M]+ 171.08899 136.4
[M]- 171.09009 136.4
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.