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]+ 172.096816 130.7
[M+Na]+ 194.078758 134.6
[M-H]- 170.082264 134.7
[M+NH4]+ 189.123363 142.5
[M+K]+ 210.052698 138.0
[M+H-H2O]+ 154.086800 119.8
[M+HCOO]- 216.087741 147.8
[M+CH3COO]- 230.103391 178.1
[M+Na-2H]- 192.064206 133.5
[M]+ 171.08899142 136.4
[M]- 171.09008858 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.