CID 119092514

4-ethynyl-3,4-dihydro-2h-1-benzopyran-4-ol

Structural Information

Molecular Formula
C11H10O2
SMILES
C#CC1(CCOC2=CC=CC=C21)O
InChI
InChI=1S/C11H10O2/c1-2-11(12)7-8-13-10-6-4-3-5-9(10)11/h1,3-6,12H,7-8H2
InChIKey
YMUOGBXJHWANSE-UHFFFAOYSA-N
Compound name
4-ethynyl-2,3-dihydrochromen-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.06808 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.075356 136.9
[M+Na]+ 197.057298 148.2
[M-H]- 173.060804 139.4
[M+NH4]+ 192.101903 156.1
[M+K]+ 213.031238 142.7
[M+H-H2O]+ 157.065340 126.2
[M+HCOO]- 219.066281 150.9
[M+CH3COO]- 233.081931 148.8
[M+Na-2H]- 195.042746 145.0
[M]+ 174.06753142 130.2
[M]- 174.06862858 130.2
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.