CID 21156150

87641-23-4

Structural Information

Molecular Formula

C₁₄H₂₂O

SMILES

CC1CC(C2=C1CC(CC2)C(=O)C)(C)C

InChI

InChI=1S/C14H22O/c1-9-8-14(3,4)13-6-5-11(10(2)15)7-12(9)13/h9,11H,5-8H2,1-4H3

InChIKey

NKLOYZPNGWCCGP-UHFFFAOYSA-N

Compound name

1-(1,1,3-trimethyl-2,3,4,5,6,7-hexahydroinden-5-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 7
Patents: 206.16707 Da
Monoisotopic Mass: 2.6
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	148.5
[M+Na]+	229.156288	155.9
[M-H]-	205.159794	152.8
[M+NH4]+	224.200893	172.9
[M+K]+	245.130228	153.1
[M+H-H2O]+	189.164330	144.3
[M+HCOO]-	251.165271	167.0
[M+CH3COO]-	265.180921	189.9
[M+Na-2H]-	227.141736	149.7
[M]+	206.16652142	146.8
[M]-	206.16761858	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe