CID 20448332

3-hydroxyazetidine-3-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C4H7NO3
SMILES
C1C(CN1)(C(=O)O)O
InChI
InChI=1S/C4H7NO3/c6-3(7)4(8)1-5-2-4/h5,8H,1-2H2,(H,6,7)
InChIKey
CQFLYEKKMHZALH-UHFFFAOYSA-N
Compound name
3-hydroxyazetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

115
Patents

117.042595 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.049871 124.2
[M+Na]+ 140.031813 129.8
[M-H]- 116.035319 122.7
[M+NH4]+ 135.076418 138.4
[M+K]+ 156.005753 131.7
[M+H-H2O]+ 100.039855 115.2
[M+HCOO]- 162.040796 140.9
[M+CH3COO]- 176.056446 163.5
[M+Na-2H]- 138.017261 130.0
[M]+ 117.04204642 128.6
[M]- 117.04314358 128.6
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

patents stripe