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

64
Patents

186.10446 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.111736 141.2
[M+Na]+ 209.093678 150.6
[M-H]- 185.097184 147.1
[M+NH4]+ 204.138283 167.1
[M+K]+ 225.067618 146.6
[M+H-H2O]+ 169.101720 136.9
[M+HCOO]- 231.102661 163.2
[M+CH3COO]- 245.118311 155.5
[M+Na-2H]- 207.079126 144.0
[M]+ 186.10391142 140.6
[M]- 186.10500858 140.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe