CID 14226998

Ns00000980

Structural Information

Molecular Formula
C15H20O4
SMILES
COC1=CC=C(C=C1)C(C(=O)O)C2(CCCCC2)O
InChI
InChI=1S/C15H20O4/c1-19-12-7-5-11(6-8-12)13(14(16)17)15(18)9-3-2-4-10-15/h5-8,13,18H,2-4,9-10H2,1H3,(H,16,17)
InChIKey
FNZJKUBNHBBOEU-UHFFFAOYSA-N
Compound name
2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

264.13617 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.143446 161.8
[M+Na]+ 287.125388 165.4
[M-H]- 263.128894 164.8
[M+NH4]+ 282.169993 178.2
[M+K]+ 303.099328 163.2
[M+H-H2O]+ 247.133430 155.4
[M+HCOO]- 309.134371 177.4
[M+CH3COO]- 323.150021 190.9
[M+Na-2H]- 285.110836 163.5
[M]+ 264.13562142 157.8
[M]- 264.13671858 157.8
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