CID 316919

1h-indenol

Structural Information

Molecular Formula
C9H8O
SMILES
C1=CC=C2C(C=CC2=C1)O
InChI
InChI=1S/C9H8O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-6,9-10H
InChIKey
KWRSKZMCJVFUGU-UHFFFAOYSA-N
Compound name
1H-inden-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

1905
Patents

132.05751 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.064786 123.3
[M+Na]+ 155.046728 132.8
[M-H]- 131.050234 127.2
[M+NH4]+ 150.091333 147.8
[M+K]+ 171.020668 129.8
[M+H-H2O]+ 115.054770 118.8
[M+HCOO]- 177.055711 147.5
[M+CH3COO]- 191.071361 138.4
[M+Na-2H]- 153.032176 131.3
[M]+ 132.05696142 122.8
[M]- 132.05805858 122.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe