CID 80494161

3-(methylamino)oxetane-3-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C5H9NO3
SMILES
CNC1(COC1)C(=O)O
InChI
InChI=1S/C5H9NO3/c1-6-5(4(7)8)2-9-3-5/h6H,2-3H2,1H3,(H,7,8)
InChIKey
UFXHHNPUXSLYAC-UHFFFAOYSA-N
Compound name
3-(methylamino)oxetane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

131.05824 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.06552 124.4
[M+Na]+ 154.04746 129.4
[M-H]- 130.05096 127.5
[M+NH4]+ 149.09206 139.2
[M+K]+ 170.02140 133.8
[M+H-H2O]+ 114.05550 115.2
[M+HCOO]- 176.05644 145.1
[M+CH3COO]- 190.07209 173.5
[M+Na-2H]- 152.03291 132.2
[M]+ 131.05769 132.2
[M]- 131.05879 132.2
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