CID 28064806

4-(azetidin-3-yloxy)benzoic acid hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

193.0739 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.081176 138.7
[M+Na]+ 216.063118 143.7
[M-H]- 192.066624 141.0
[M+NH4]+ 211.107723 148.6
[M+K]+ 232.037058 144.4
[M+H-H2O]+ 176.071160 126.5
[M+HCOO]- 238.072101 156.7
[M+CH3COO]- 252.087751 180.7
[M+Na-2H]- 214.048566 143.1
[M]+ 193.07335142 144.8
[M]- 193.07444858 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

patents stripe