CID 608583

Mansonone g

Structural Information

Molecular Formula
C15H16O3
SMILES
CC1=CC2=C(C(=CC(=C2C(C)C)O)C)C(=O)C1=O
InChI
InChI=1S/C15H16O3/c1-7(2)12-10-5-9(4)14(17)15(18)13(10)8(3)6-11(12)16/h5-7,16H,1-4H3
InChIKey
KAIIHLMDZDKJOC-UHFFFAOYSA-N
Compound name
6-hydroxy-3,8-dimethyl-5-propan-2-ylnaphthalene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

9
Patents

244.10994 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.11722 151.2
[M+Na]+ 267.09916 161.7
[M-H]- 243.10266 155.6
[M+NH4]+ 262.14376 170.3
[M+K]+ 283.07310 158.2
[M+H-H2O]+ 227.10720 146.0
[M+HCOO]- 289.10814 170.6
[M+CH3COO]- 303.12379 197.3
[M+Na-2H]- 265.08461 153.0
[M]+ 244.10939 153.5
[M]- 244.11049 153.5
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