CID 71432893

1638764-75-6

Structural Information

Molecular Formula
C13H14O4
SMILES
C1C(CC1C(=O)OCC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C13H14O4/c14-12(15)10-6-11(7-10)13(16)17-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,14,15)
InChIKey
LOLMPSNXYJYMDY-UHFFFAOYSA-N
Compound name
3-phenylmethoxycarbonylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

234.0892 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.09648 149.5
[M+Na]+ 257.07842 153.5
[M-H]- 233.08192 154.2
[M+NH4]+ 252.12302 159.5
[M+K]+ 273.05236 155.0
[M+H-H2O]+ 217.08646 137.4
[M+HCOO]- 279.08740 168.6
[M+CH3COO]- 293.10305 190.8
[M+Na-2H]- 255.06387 151.5
[M]+ 234.08865 157.9
[M]- 234.08975 157.9
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