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]+ 247.16927 153.7
[M+Na]+ 269.15121 164.1
[M-H]- 245.15471 159.2
[M+NH4]+ 264.19581 179.0
[M+K]+ 285.12515 161.3
[M+H-H2O]+ 229.15925 150.1
[M+HCOO]- 291.16019 174.8
[M+CH3COO]- 305.17584 198.1
[M+Na-2H]- 267.13666 156.9
[M]+ 246.16144 158.0
[M]- 246.16254 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.