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

105
Patents

117.042595 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.04987 124.2
[M+Na]+ 140.03181 129.8
[M-H]- 116.03532 122.7
[M+NH4]+ 135.07642 138.4
[M+K]+ 156.00575 131.7
[M+H-H2O]+ 100.03986 115.2
[M+HCOO]- 162.04080 140.9
[M+CH3COO]- 176.05645 163.5
[M+Na-2H]- 138.01726 130.0
[M]+ 117.04205 128.6
[M]- 117.04314 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