CID 5275545

1,5-dihydroxy-1-isopropyl-6-methoxy-4,7-dimethyl-tetralin-2-one

Structural Information

Molecular Formula
C16H22O4
SMILES
CC1CC(=O)C(C2=C1C(=C(C(=C2)C)OC)O)(C(C)C)O
InChI
InChI=1S/C16H22O4/c1-8(2)16(19)11-6-10(4)15(20-5)14(18)13(11)9(3)7-12(16)17/h6,8-9,18-19H,7H2,1-5H3
InChIKey
UVNPJKFWGLZXDE-UHFFFAOYSA-N
Compound name
1,5-dihydroxy-6-methoxy-4,7-dimethyl-1-propan-2-yl-3,4-dihydronaphthalen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

278.1518 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.15908 161.5
[M+Na]+ 301.14102 170.6
[M-H]- 277.14452 164.1
[M+NH4]+ 296.18562 180.4
[M+K]+ 317.11496 167.8
[M+H-H2O]+ 261.14906 157.0
[M+HCOO]- 323.15000 177.5
[M+CH3COO]- 337.16565 200.9
[M+Na-2H]- 299.12647 162.7
[M]+ 278.15125 163.4
[M]- 278.15235 163.4
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.