CID 107333

4755-83-3

Structural Information

Molecular Formula

C₁₆H₂₂O

SMILES

CC1C(C2=C(C1(C)C)C=C(C=C2)C(=O)C)(C)C

InChI

InChI=1S/C16H22O/c1-10(17)12-7-8-13-14(9-12)16(5,6)11(2)15(13,3)4/h7-9,11H,1-6H3

InChIKey

DALKDFNESXMXHW-UHFFFAOYSA-N

Compound name

1-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 93
Patents: 230.16707 Da
Monoisotopic Mass: 4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	231.174346	150.1
[M+Na]+	253.156288	160.6
[M-H]-	229.159794	155.7
[M+NH4]+	248.200893	176.1
[M+K]+	269.130228	157.2
[M+H-H2O]+	213.164330	146.6
[M+HCOO]-	275.165271	171.0
[M+CH3COO]-	289.180921	196.0
[M+Na-2H]-	251.141736	153.2
[M]+	230.16652142	152.9
[M]-	230.16761858	152.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe