CID 7219

Indene

Structural Information

Molecular Formula
C9H8
SMILES
C1C=CC2=CC=CC=C21
InChI
InChI=1S/C9H8/c1-2-5-9-7-3-6-8(9)4-1/h1-6H,7H2
InChIKey
YBYIRNPNPLQARY-UHFFFAOYSA-N
Compound name
1H-indene
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

374
References

123604
Patents

116.0626 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.06988 119.9
[M+Na]+ 139.05182 128.8
[M-H]- 115.05532 124.7
[M+NH4]+ 134.09642 145.4
[M+K]+ 155.02576 126.4
[M+H-H2O]+ 99.059860 115.0
[M+HCOO]- 161.06080 145.3
[M+CH3COO]- 175.07645 135.4
[M+Na-2H]- 137.03727 128.9
[M]+ 116.06205 119.4
[M]- 116.06315 119.4
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

No patent data available for this compound.