CID 64602

126145-52-6

Structural Information

Molecular Formula
C18H22O3
SMILES
COC(=O)C1=C(C=CC(=C1)C23CC4CC(C2)CC(C4)C3)O
InChI
InChI=1S/C18H22O3/c1-21-17(20)15-7-14(2-3-16(15)19)18-8-11-4-12(9-18)6-13(5-11)10-18/h2-3,7,11-13,19H,4-6,8-10H2,1H3
InChIKey
JFRMQGWZTDYHRK-UHFFFAOYSA-N
Compound name
methyl 5-(1-adamantyl)-2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

286.1569 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.164176 167.1
[M+Na]+ 309.146118 169.1
[M-H]- 285.149624 164.2
[M+NH4]+ 304.190723 188.8
[M+K]+ 325.120058 165.2
[M+H-H2O]+ 269.154160 159.4
[M+HCOO]- 331.155101 171.9
[M+CH3COO]- 345.170751 174.5
[M+Na-2H]- 307.131566 175.2
[M]+ 286.15635142 167.7
[M]- 286.15744858 167.7
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

No patent data available for this compound.