CID 6437521

Einecs 269-557-7

Structural Information

Molecular Formula
C18H24O
SMILES
C/C=C/C(=O)C1=CC2=C(C=C1C)C(CC2(C)C)(C)C
InChI
InChI=1S/C18H24O/c1-7-8-16(19)13-10-15-14(9-12(13)2)17(3,4)11-18(15,5)6/h7-10H,11H2,1-6H3/b8-7+
InChIKey
VHGRISIIWCHDBX-BQYQJAHWSA-N
Compound name
(E)-1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)but-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.1827 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.18998 158.0
[M+Na]+ 279.17192 168.1
[M-H]- 255.17542 163.3
[M+NH4]+ 274.21652 183.0
[M+K]+ 295.14586 163.6
[M+H-H2O]+ 239.17996 154.3
[M+HCOO]- 301.18090 178.5
[M+CH3COO]- 315.19655 200.5
[M+Na-2H]- 277.15737 160.1
[M]+ 256.18215 160.8
[M]- 256.18325 160.8
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

No patent data available for this compound.