CID 121201300

Lithium(1+) 2-[3-(hydroxymethyl)azetidin-1-yl]benzoate

Structural Information

Molecular Formula
C11H13NO3
SMILES
C1C(CN1C2=CC=CC=C2C(=O)O)CO
InChI
InChI=1S/C11H13NO3/c13-7-8-5-12(6-8)10-4-2-1-3-9(10)11(14)15/h1-4,8,13H,5-7H2,(H,14,15)
InChIKey
SKISCKXRONWWKH-UHFFFAOYSA-N
Compound name
2-[3-(hydroxymethyl)azetidin-1-yl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.08954 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.096816 143.7
[M+Na]+ 230.078758 149.2
[M-H]- 206.082264 146.3
[M+NH4]+ 225.123363 153.4
[M+K]+ 246.052698 149.7
[M+H-H2O]+ 190.086800 131.6
[M+HCOO]- 252.087741 161.3
[M+CH3COO]- 266.103391 184.8
[M+Na-2H]- 228.064206 146.8
[M]+ 207.08899142 150.5
[M]- 207.09008858 150.5
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.