CID 70410357

2551118-37-5

Structural Information

Molecular Formula
C5H9NO3
SMILES
C1C(CN1)(CO)C(=O)O
InChI
InChI=1S/C5H9NO3/c7-3-5(4(8)9)1-6-2-5/h6-7H,1-3H2,(H,8,9)
InChIKey
CTKOKGGHIAYFMP-UHFFFAOYSA-N
Compound name
3-(hydroxymethyl)azetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

131.05824 Da
Monoisotopic Mass

-4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.065516 128.8
[M+Na]+ 154.047458 134.0
[M-H]- 130.050964 127.0
[M+NH4]+ 149.092063 142.4
[M+K]+ 170.021398 135.6
[M+H-H2O]+ 114.055500 119.6
[M+HCOO]- 176.056441 145.1
[M+CH3COO]- 190.072091 166.4
[M+Na-2H]- 152.032906 134.0
[M]+ 131.05769142 133.5
[M]- 131.05878858 133.5
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