CID 15647834

20470-48-8

Structural Information

Molecular Formula
C11H10O
SMILES
C#CC1(CCC2=CC=CC=C21)O
InChI
InChI=1S/C11H10O/c1-2-11(12)8-7-9-5-3-4-6-10(9)11/h1,3-6,12H,7-8H2
InChIKey
XRPSBLRPYIACBC-UHFFFAOYSA-N
Compound name
1-ethynyl-2,3-dihydroinden-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

158.07317 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.08045 138.2
[M+Na]+ 181.06239 150.4
[M-H]- 157.06589 140.4
[M+NH4]+ 176.10699 160.8
[M+K]+ 197.03633 142.8
[M+H-H2O]+ 141.07043 127.9
[M+HCOO]- 203.07137 154.7
[M+CH3COO]- 217.08702 150.5
[M+Na-2H]- 179.04784 143.7
[M]+ 158.07262 131.5
[M]- 158.07372 131.5
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