CID 135411

125316-60-1

Structural Information

Molecular Formula
C27H26O3
SMILES
C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5=CC6=C(C=C5)C=C(C=C6)C(=O)O)O
InChI
InChI=1S/C27H26O3/c28-25-6-5-22(20-1-2-21-11-23(26(29)30)4-3-19(21)10-20)12-24(25)27-13-16-7-17(14-27)9-18(8-16)15-27/h1-6,10-12,16-18,28H,7-9,13-15H2,(H,29,30)
InChIKey
LDGIHZJOIQSHPB-UHFFFAOYSA-N
Compound name
6-[3-(1-adamantyl)-4-hydroxyphenyl]naphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

151
References

708
Patents

398.1882 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.19548 193.3
[M+Na]+ 421.17742 206.9
[M+NH4]+ 416.22202 206.0
[M+K]+ 437.15136 195.1
[M-H]- 397.18092 196.4
[M+Na-2H]- 419.16287 193.8
[M]+ 398.18765 196.5
[M]- 398.18875 196.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe