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

29
Patents

256.1827 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.18998 159.9
[M+Na]+ 279.17192 168.2
[M-H]- 255.17542 165.0
[M+NH4]+ 274.21652 183.5
[M+K]+ 295.14586 163.6
[M+H-H2O]+ 239.17996 153.5
[M+HCOO]- 301.18090 175.5
[M+CH3COO]- 315.19655 200.0
[M+Na-2H]- 277.15737 164.7
[M]+ 256.18215 157.4
[M]- 256.18325 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