CID 72698853

1203683-15-1

Structural Information

Molecular Formula
C11H13NO2
SMILES
COC(=O)C1=CC=C(C=C1)C2CNC2
InChI
InChI=1S/C11H13NO2/c1-14-11(13)9-4-2-8(3-5-9)10-6-12-7-10/h2-5,10,12H,6-7H2,1H3
InChIKey
YNJQTLGUSIHJIX-UHFFFAOYSA-N
Compound name
methyl 4-(azetidin-3-yl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

191.09464 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 140.9
[M+Na]+ 214.08386 148.4
[M+NH4]+ 209.12846 144.7
[M+K]+ 230.05780 144.7
[M-H]- 190.08736 140.2
[M+Na-2H]- 212.06931 145.1
[M]+ 191.09409 140.4
[M]- 191.09519 140.4
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