CID 21901955

74205-38-2

Structural Information

Molecular Formula
C12H14O3
SMILES
COC1=CC=CC=C1C2(CCC2)C(=O)O
InChI
InChI=1S/C12H14O3/c1-15-10-6-3-2-5-9(10)12(11(13)14)7-4-8-12/h2-3,5-6H,4,7-8H2,1H3,(H,13,14)
InChIKey
FANXELKZLGBJPO-UHFFFAOYSA-N
Compound name
1-(2-methoxyphenyl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

206.0943 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.10158 143.7
[M+Na]+ 229.08352 149.5
[M-H]- 205.08702 149.2
[M+NH4]+ 224.12812 157.3
[M+K]+ 245.05746 150.7
[M+H-H2O]+ 189.09156 133.4
[M+HCOO]- 251.09250 163.9
[M+CH3COO]- 265.10815 186.0
[M+Na-2H]- 227.06897 148.6
[M]+ 206.09375 152.3
[M]- 206.09485 152.3
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