CID 137944522

2287335-09-3

Structural Information

Molecular Formula
C8H13NO3
SMILES
C1C(CC1N2CC(C2)O)C(=O)O
InChI
InChI=1S/C8H13NO3/c10-7-3-9(4-7)6-1-5(2-6)8(11)12/h5-7,10H,1-4H2,(H,11,12)
InChIKey
QJNIGFUZCYJMKU-UHFFFAOYSA-N
Compound name
3-(3-hydroxyazetidin-1-yl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.08954 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.096816 131.3
[M+Na]+ 194.078758 134.4
[M-H]- 170.082264 133.5
[M+NH4]+ 189.123363 135.6
[M+K]+ 210.052698 139.1
[M+H-H2O]+ 154.086800 116.0
[M+HCOO]- 216.087741 145.6
[M+CH3COO]- 230.103391 188.4
[M+Na-2H]- 192.064206 133.0
[M]+ 171.08899142 144.4
[M]- 171.09008858 144.4
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.