CID 165779319

Tert-butyl 3-(2-hydroxyphenyl)prop-2-ynoate

Structural Information

Molecular Formula
C13H14O3
SMILES
CC(C)(C)OC(=O)C#CC1=CC=CC=C1O
InChI
InChI=1S/C13H14O3/c1-13(2,3)16-12(15)9-8-10-6-4-5-7-11(10)14/h4-7,14H,1-3H3
InChIKey
GRIKEFOGMJJPFC-UHFFFAOYSA-N
Compound name
tert-butyl 3-(2-hydroxyphenyl)prop-2-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.0943 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.10158 148.3
[M+Na]+ 241.08352 159.3
[M+NH4]+ 236.12812 151.7
[M+K]+ 257.05746 151.5
[M-H]- 217.08702 140.5
[M+Na-2H]- 239.06897 150.5
[M]+ 218.09375 146.8
[M]- 218.09485 146.8
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.