CID 64601

126145-51-5

Structural Information

Molecular Formula
C17H20O3
SMILES
C1C2CC3CC1CC(C2)(C3)C4=CC(=C(C=C4)O)C(=O)O
InChI
InChI=1S/C17H20O3/c18-15-2-1-13(6-14(15)16(19)20)17-7-10-3-11(8-17)5-12(4-10)9-17/h1-2,6,10-12,18H,3-5,7-9H2,(H,19,20)
InChIKey
KUCGAGONGXZTOE-UHFFFAOYSA-N
Compound name
5-(1-adamantyl)-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

12
Patents

272.14124 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.148516 162.8
[M+Na]+ 295.130458 164.9
[M-H]- 271.133964 158.9
[M+NH4]+ 290.175063 184.4
[M+K]+ 311.104398 160.5
[M+H-H2O]+ 255.138500 155.8
[M+HCOO]- 317.139441 166.5
[M+CH3COO]- 331.155091 170.1
[M+Na-2H]- 293.115906 171.1
[M]+ 272.14069142 161.7
[M]- 272.14178858 161.7
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

patents stripe