CID 89149653

2-(3-ethynylphenyl)propan-2-ol

Structural Information

Molecular Formula
C11H12O
SMILES
CC(C)(C1=CC=CC(=C1)C#C)O
InChI
InChI=1S/C11H12O/c1-4-9-6-5-7-10(8-9)11(2,3)12/h1,5-8,12H,2-3H3
InChIKey
DDIXBOIRQMMVBE-UHFFFAOYSA-N
Compound name
2-(3-ethynylphenyl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

160.08882 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.096096 138.8
[M+Na]+ 183.078038 149.1
[M-H]- 159.081544 140.2
[M+NH4]+ 178.122643 157.1
[M+K]+ 199.051978 144.9
[M+H-H2O]+ 143.086080 128.2
[M+HCOO]- 205.087021 154.5
[M+CH3COO]- 219.102671 185.2
[M+Na-2H]- 181.063486 144.2
[M]+ 160.08827142 133.0
[M]- 160.08936858 133.0
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