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

22
Patents

228.11504 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.122316 147.8
[M+Na]+ 251.104258 158.0
[M-H]- 227.107764 153.3
[M+NH4]+ 246.148863 168.1
[M+K]+ 267.078198 154.7
[M+H-H2O]+ 211.112300 142.3
[M+HCOO]- 273.113241 168.6
[M+CH3COO]- 287.128891 196.3
[M+Na-2H]- 249.089706 150.7
[M]+ 228.11449142 150.1
[M]- 228.11558858 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