CID 9837310

7-hydroxy-3,4-dihydrocadalin

Structural Information

Molecular Formula
C15H20O
SMILES
CC1=CCC(C2=C1C=C(C(=C2)C)O)C(C)C
InChI
InChI=1S/C15H20O/c1-9(2)12-6-5-10(3)13-8-15(16)11(4)7-14(12)13/h5,7-9,12,16H,6H2,1-4H3
InChIKey
YZHICMXANUYYLB-UHFFFAOYSA-N
Compound name
3,8-dimethyl-5-propan-2-yl-5,6-dihydronaphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

8
Patents

216.15141 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.158686 149.3
[M+Na]+ 239.140628 157.6
[M-H]- 215.144134 152.9
[M+NH4]+ 234.185233 169.3
[M+K]+ 255.114568 153.9
[M+H-H2O]+ 199.148670 143.9
[M+HCOO]- 261.149611 168.0
[M+CH3COO]- 275.165261 192.1
[M+Na-2H]- 237.126076 152.1
[M]+ 216.15086142 149.2
[M]- 216.15195858 149.2
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