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

2
Patents

131.05824 Da
Monoisotopic Mass

-4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.06552 128.8
[M+Na]+ 154.04746 134.0
[M-H]- 130.05096 127.0
[M+NH4]+ 149.09206 142.4
[M+K]+ 170.02140 135.6
[M+H-H2O]+ 114.05550 119.6
[M+HCOO]- 176.05644 145.1
[M+CH3COO]- 190.07209 166.4
[M+Na-2H]- 152.03291 134.0
[M]+ 131.05769 133.5
[M]- 131.05879 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