CID 83672285

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

Structural Information

Molecular Formula
C7H11NO3
SMILES
C1C(CN1C2COC2)C(=O)O
InChI
InChI=1S/C7H11NO3/c9-7(10)5-1-8(2-5)6-3-11-4-6/h5-6H,1-4H2,(H,9,10)
InChIKey
QBWMTGRBGNNUIS-UHFFFAOYSA-N
Compound name
1-(oxetan-3-yl)azetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.0739 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.08118 121.2
[M+Na]+ 180.06312 124.5
[M-H]- 156.06662 125.2
[M+NH4]+ 175.10772 125.4
[M+K]+ 196.03706 131.1
[M+H-H2O]+ 140.07116 106.0
[M+HCOO]- 202.07210 136.6
[M+CH3COO]- 216.08775 186.9
[M+Na-2H]- 178.04857 126.0
[M]+ 157.07335 136.0
[M]- 157.07445 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

No patent data available for this compound.