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

15
Patents

145.0739 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.08118 127.5
[M+Na]+ 168.06312 132.6
[M-H]- 144.06662 131.8
[M+NH4]+ 163.10772 142.6
[M+K]+ 184.03706 137.8
[M+H-H2O]+ 128.07116 118.0
[M+HCOO]- 190.07210 149.4
[M+CH3COO]- 204.08775 178.3
[M+Na-2H]- 166.04857 135.4
[M]+ 145.07335 137.4
[M]- 145.07445 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