CID 115004645

Lithium(1+) 4-[(oxetan-3-yl)methyl]benzoate

Structural Information

Molecular Formula
C11H12O3
SMILES
C1C(CO1)CC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C11H12O3/c12-11(13)10-3-1-8(2-4-10)5-9-6-14-7-9/h1-4,9H,5-7H2,(H,12,13)
InChIKey
VBIUSNLTWKTIQV-UHFFFAOYSA-N
Compound name
4-(oxetan-3-ylmethyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.07864 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.085916 135.7
[M+Na]+ 215.067858 141.0
[M-H]- 191.071364 141.5
[M+NH4]+ 210.112463 146.6
[M+K]+ 231.041798 143.4
[M+H-H2O]+ 175.075900 124.4
[M+HCOO]- 237.076841 155.4
[M+CH3COO]- 251.092491 183.5
[M+Na-2H]- 213.053306 141.3
[M]+ 192.07809142 144.2
[M]- 192.07918858 144.2
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.