CID 3022310

93777-73-2

Structural Information

Molecular Formula
C16H22O2
SMILES
CC(=O)C1=CC2=C(C=C1OC)C(CC2(C)C)(C)C
InChI
InChI=1S/C16H22O2/c1-10(17)11-7-12-13(8-14(11)18-6)16(4,5)9-15(12,2)3/h7-8H,9H2,1-6H3
InChIKey
OLJJZAHQTNUMHU-UHFFFAOYSA-N
Compound name
1-(6-methoxy-1,1,3,3-tetramethyl-2H-inden-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.16199 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.169266 153.7
[M+Na]+ 269.151208 164.1
[M-H]- 245.154714 159.2
[M+NH4]+ 264.195813 179.0
[M+K]+ 285.125148 161.3
[M+H-H2O]+ 229.159250 150.1
[M+HCOO]- 291.160191 174.8
[M+CH3COO]- 305.175841 198.1
[M+Na-2H]- 267.136656 156.9
[M]+ 246.16144142 158.0
[M]- 246.16253858 158.0
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.