CID 201728

Matridin-15-one, 11,12,13,14-tetrahydro-

Structural Information

Molecular Formula

C₁₆H₂₂O

SMILES

CC1=C(C2=C(CCC2(C)C)C(=C1C(=O)C)C)C

InChI

InChI=1S/C16H22O/c1-9-10(2)15-13(7-8-16(15,5)6)11(3)14(9)12(4)17/h7-8H2,1-6H3

InChIKey

OGHYUUFNTFDTIU-UHFFFAOYSA-N

Compound name

1-(1,1,4,6,7-pentamethyl-2,3-dihydroinden-5-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
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	151.2
[M+Na]+	253.156288	161.7
[M-H]-	229.159794	156.8
[M+NH4]+	248.200893	175.5
[M+K]+	269.130228	158.2
[M+H-H2O]+	213.164330	147.3
[M+HCOO]-	275.165271	172.1
[M+CH3COO]-	289.180921	197.6
[M+Na-2H]-	251.141736	152.4
[M]+	230.16652142	154.1
[M]-	230.16761858	154.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe