CID 15599876

87900-51-4

Structural Information

Molecular Formula
C15H18O3
SMILES
CC1=CC2=C(C=C1O)C(C(=O)C=C2C(C)C)(C)O
InChI
InChI=1S/C15H18O3/c1-8(2)10-6-14(17)15(4,18)12-7-13(16)9(3)5-11(10)12/h5-8,16,18H,1-4H3
InChIKey
JLCJSBOHWRDWQW-UHFFFAOYSA-N
Compound name
1,7-dihydroxy-1,6-dimethyl-4-propan-2-ylnaphthalen-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

246.1256 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.13288 155.0
[M+Na]+ 269.11482 168.1
[M+NH4]+ 264.15942 164.3
[M+K]+ 285.08876 160.5
[M-H]- 245.11832 156.6
[M+Na-2H]- 267.10027 160.5
[M]+ 246.12505 157.5
[M]- 246.12615 157.5
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