CID 10954259

202667-44-5

Structural Information

Molecular Formula

C₁₃H₁₄O

SMILES

CC1CC2=C(C1=O)C=C3CCCC3=C2

InChI

InChI=1S/C13H14O/c1-8-5-11-6-9-3-2-4-10(9)7-12(11)13(8)14/h6-8H,2-5H2,1H3

InChIKey

HUGFGAJICGDGBY-UHFFFAOYSA-N

Compound name

2-methyl-3,5,6,7-tetrahydro-2H-s-indacen-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 67
Patents: 186.10446 Da
Monoisotopic Mass: 3.1
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]+	187.11174	140.1
[M+Na]+	209.09368	152.0
[M+NH4]+	204.13828	150.8
[M+K]+	225.06762	148.1
[M-H]-	185.09718	143.0
[M+Na-2H]-	207.07913	144.0
[M]+	186.10391	142.6
[M]-	186.10501	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe