CID 92292

Cashmeran

Structural Information

Molecular Formula

C₁₄H₂₂O

SMILES

CC1C(C2=C(C1(C)C)C(=O)CCC2)(C)C

InChI

InChI=1S/C14H22O/c1-9-13(2,3)10-7-6-8-11(15)12(10)14(9,4)5/h9H,6-8H2,1-5H3

InChIKey

MIZGSAALSYARKU-UHFFFAOYSA-N

Compound name

1,1,2,3,3-pentamethyl-2,5,6,7-tetrahydroinden-4-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 15
References: 6734
Patents: 206.16707 Da
Monoisotopic Mass: 3.3
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]+	207.174346	144.6
[M+Na]+	229.156288	154.2
[M-H]-	205.159794	149.7
[M+NH4]+	224.200893	171.5
[M+K]+	245.130228	151.1
[M+H-H2O]+	189.164330	141.3
[M+HCOO]-	251.165271	164.2
[M+CH3COO]-	265.180921	189.9
[M+Na-2H]-	227.141736	147.9
[M]+	206.16652142	144.4
[M]-	206.16761858	144.4

Literature stripe

literature stripe

Patent stripe

patents stripe