CID 80495203

Methyl 3-(methylamino)oxetane-3-carboxylate hydrochloride

Structural Information

Molecular Formula
C6H11NO3
SMILES
CNC1(COC1)C(=O)OC
InChI
InChI=1S/C6H11NO3/c1-7-6(3-10-4-6)5(8)9-2/h7H,3-4H2,1-2H3
InChIKey
AMUNNJCJCKXQGL-UHFFFAOYSA-N
Compound name
methyl 3-(methylamino)oxetane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

145.0739 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.081176 127.5
[M+Na]+ 168.063118 132.6
[M-H]- 144.066624 131.8
[M+NH4]+ 163.107723 142.6
[M+K]+ 184.037058 137.8
[M+H-H2O]+ 128.071160 118.0
[M+HCOO]- 190.072101 149.4
[M+CH3COO]- 204.087751 178.3
[M+Na-2H]- 166.048566 135.4
[M]+ 145.07335142 137.4
[M]- 145.07444858 137.4
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