CID 63624213

Methyl 2-[(oxetan-3-yl)amino]propanoate

Structural Information

Molecular Formula
C7H13NO3
SMILES
CC(C(=O)OC)NC1COC1
InChI
InChI=1S/C7H13NO3/c1-5(7(9)10-2)8-6-3-11-4-6/h5-6,8H,3-4H2,1-2H3
InChIKey
WVCASCIRDTVXTC-UHFFFAOYSA-N
Compound name
methyl 2-(oxetan-3-ylamino)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.08954 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.09682 133.5
[M+Na]+ 182.07876 137.0
[M-H]- 158.08226 137.3
[M+NH4]+ 177.12336 145.9
[M+K]+ 198.05270 142.3
[M+H-H2O]+ 142.08680 122.2
[M+HCOO]- 204.08774 154.0
[M+CH3COO]- 218.10339 182.5
[M+Na-2H]- 180.06421 138.3
[M]+ 159.08899 142.7
[M]- 159.09009 142.7
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

No patent data available for this compound.