CID 13717884

(3-(4-methoxyphenyl)cyclohexyl)acetic acid,cyclohexanamine salt

Structural Information

Molecular Formula
C15H20O3
SMILES
COC1=CC=C(C=C1)C2CCCC(C2)CC(=O)O
InChI
InChI=1S/C15H20O3/c1-18-14-7-5-12(6-8-14)13-4-2-3-11(9-13)10-15(16)17/h5-8,11,13H,2-4,9-10H2,1H3,(H,16,17)
InChIKey
ATOJJGJTWYSPGT-UHFFFAOYSA-N
Compound name
2-[3-(4-methoxyphenyl)cyclohexyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.14125 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.14853 157.4
[M+Na]+ 271.13047 161.7
[M-H]- 247.13397 161.9
[M+NH4]+ 266.17507 173.6
[M+K]+ 287.10441 159.0
[M+H-H2O]+ 231.13851 150.3
[M+HCOO]- 293.13945 175.4
[M+CH3COO]- 307.15510 192.0
[M+Na-2H]- 269.11592 158.9
[M]+ 248.14070 154.4
[M]- 248.14180 154.4
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