CID 11970446

Einecs 249-243-6

Structural Information

Molecular Formula
C18H24O
SMILES
CC1C2=C(C=C3CCCC3=C2)C(C1(C)C)(C)C(=O)C
InChI
InChI=1S/C18H24O/c1-11-15-9-13-7-6-8-14(13)10-16(15)18(5,12(2)19)17(11,3)4/h9-11H,6-8H2,1-5H3
InChIKey
BKTMTSLLVROZJR-UHFFFAOYSA-N
Compound name
1-(1,2,2,3-tetramethyl-3,5,6,7-tetrahydro-s-indacen-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.1827 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.189976 161.9
[M+Na]+ 279.171918 171.9
[M-H]- 255.175424 168.0
[M+NH4]+ 274.216523 189.4
[M+K]+ 295.145858 167.0
[M+H-H2O]+ 239.179960 158.3
[M+HCOO]- 301.180901 181.1
[M+CH3COO]- 315.196551 200.1
[M+Na-2H]- 277.157366 162.8
[M]+ 256.18215142 163.4
[M]- 256.18324858 163.4
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

No patent data available for this compound.