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]+ 172.09682 131.3
[M+Na]+ 194.07876 134.4
[M-H]- 170.08226 133.5
[M+NH4]+ 189.12336 135.6
[M+K]+ 210.05270 139.1
[M+H-H2O]+ 154.08680 116.0
[M+HCOO]- 216.08774 145.6
[M+CH3COO]- 230.10339 188.4
[M+Na-2H]- 192.06421 133.0
[M]+ 171.08899 144.4
[M]- 171.09009 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.