CID 21742

Mansonone c

Structural Information

Molecular Formula
C15H16O2
SMILES
CC1=C2C(=C(C=C1)C(C)C)C=C(C(=O)C2=O)C
InChI
InChI=1S/C15H16O2/c1-8(2)11-6-5-9(3)13-12(11)7-10(4)14(16)15(13)17/h5-8H,1-4H3
InChIKey
GREWJSSEUGRGIT-UHFFFAOYSA-N
Compound name
3,8-dimethyl-5-propan-2-ylnaphthalene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

15
Patents

228.11504 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.12232 147.8
[M+Na]+ 251.10426 158.0
[M-H]- 227.10776 153.3
[M+NH4]+ 246.14886 168.1
[M+K]+ 267.07820 154.7
[M+H-H2O]+ 211.11230 142.3
[M+HCOO]- 273.11324 168.6
[M+CH3COO]- 287.12889 196.3
[M+Na-2H]- 249.08971 150.7
[M]+ 228.11449 150.1
[M]- 228.11559 150.1
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