CID 3022969

Einecs 300-422-8

Structural Information

Molecular Formula
C18H24O
SMILES
CC1(CCC(C2=C1C=C3CCCC(=O)C3=C2)(C)C)C
InChI
InChI=1S/C18H24O/c1-17(2)8-9-18(3,4)15-11-13-12(10-14(15)17)6-5-7-16(13)19/h10-11H,5-9H2,1-4H3
InChIKey
TUWBVBYVXBXGFD-UHFFFAOYSA-N
Compound name
5,5,8,8-tetramethyl-3,4,6,7-tetrahydro-2H-anthracen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

256.1827 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.189976 159.9
[M+Na]+ 279.171918 168.2
[M-H]- 255.175424 165.0
[M+NH4]+ 274.216523 183.5
[M+K]+ 295.145858 163.6
[M+H-H2O]+ 239.179960 153.5
[M+HCOO]- 301.180901 175.5
[M+CH3COO]- 315.196551 200.0
[M+Na-2H]- 277.157366 164.7
[M]+ 256.18215142 157.4
[M]- 256.18324858 157.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe