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]+ 158.081176 121.2
[M+Na]+ 180.063118 124.5
[M-H]- 156.066624 125.2
[M+NH4]+ 175.107723 125.4
[M+K]+ 196.037058 131.1
[M+H-H2O]+ 140.071160 106.0
[M+HCOO]- 202.072101 136.6
[M+CH3COO]- 216.087751 186.9
[M+Na-2H]- 178.048566 126.0
[M]+ 157.07335142 136.0
[M]- 157.07444858 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.