CID 53410604

1956376-78-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.08954 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.09682 142.1
[M+Na]+ 230.07876 147.2
[M-H]- 206.08226 145.7
[M+NH4]+ 225.12336 152.2
[M+K]+ 246.05270 148.6
[M+H-H2O]+ 190.08680 129.6
[M+HCOO]- 252.08774 161.2
[M+CH3COO]- 266.10339 185.4
[M+Na-2H]- 228.06421 146.5
[M]+ 207.08899 150.2
[M]- 207.09009 150.2
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.