CID 53410605

Methyl 3-(azetidin-3-yloxy)propanoate hydrochloride

Structural Information

Molecular Formula
C7H13NO3
SMILES
COC(=O)CCOC1CNC1
InChI
InChI=1S/C7H13NO3/c1-10-7(9)2-3-11-6-4-8-5-6/h6,8H,2-5H2,1H3
InChIKey
PTFGUNZEOFOCIJ-UHFFFAOYSA-N
Compound name
methyl 3-(azetidin-3-yloxy)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.08954 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.09682 135.2
[M+Na]+ 182.07876 139.6
[M+NH4]+ 177.12336 137.7
[M+K]+ 198.05270 137.5
[M-H]- 158.08226 131.2
[M+Na-2H]- 180.06421 135.7
[M]+ 159.08899 133.0
[M]- 159.09009 133.0
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.