CID 53410616

Methyl 4-(3-azetidinyloxy)benzoate

Structural Information

Molecular Formula
C11H13NO3
SMILES
COC(=O)C1=CC=C(C=C1)OC2CNC2
InChI
InChI=1S/C11H13NO3/c1-14-11(13)8-2-4-9(5-3-8)15-10-6-12-7-10/h2-5,10,12H,6-7H2,1H3
InChIKey
JTHDHLXXKXNEIB-UHFFFAOYSA-N
Compound name
methyl 4-(azetidin-3-yloxy)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.08954 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.09682 144.3
[M+Na]+ 230.07876 151.3
[M+NH4]+ 225.12336 147.5
[M+K]+ 246.05270 148.2
[M-H]- 206.08226 143.1
[M+Na-2H]- 228.06421 148.0
[M]+ 207.08899 143.6
[M]- 207.09009 143.6
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.