CID 145867153

2375267-42-6

Structural Information

Molecular Formula
C10H11NO3
SMILES
C1C(CN1)OC2=CC=CC(=C2)C(=O)O
InChI
InChI=1S/C10H11NO3/c12-10(13)7-2-1-3-8(4-7)14-9-5-11-6-9/h1-4,9,11H,5-6H2,(H,12,13)
InChIKey
SZJZECXUODBCTB-UHFFFAOYSA-N
Compound name
3-(azetidin-3-yloxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.0739 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.08118 138.7
[M+Na]+ 216.06312 143.7
[M-H]- 192.06662 141.0
[M+NH4]+ 211.10772 148.6
[M+K]+ 232.03706 144.4
[M+H-H2O]+ 176.07116 126.5
[M+HCOO]- 238.07210 156.7
[M+CH3COO]- 252.08775 180.7
[M+Na-2H]- 214.04857 143.1
[M]+ 193.07335 144.8
[M]- 193.07445 144.8
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.