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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.11174 141.2
[M+Na]+ 209.09368 150.6
[M-H]- 185.09718 147.1
[M+NH4]+ 204.13828 167.1
[M+K]+ 225.06762 146.6
[M+H-H2O]+ 169.10172 136.9
[M+HCOO]- 231.10266 163.2
[M+CH3COO]- 245.11831 155.5
[M+Na-2H]- 207.07913 144.0
[M]+ 186.10391 140.6
[M]- 186.10501 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