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]+ 175.07536 136.9
[M+Na]+ 197.05730 148.2
[M-H]- 173.06080 139.4
[M+NH4]+ 192.10190 156.1
[M+K]+ 213.03124 142.7
[M+H-H2O]+ 157.06534 126.2
[M+HCOO]- 219.06628 150.9
[M+CH3COO]- 233.08193 148.8
[M+Na-2H]- 195.04275 145.0
[M]+ 174.06753 130.2
[M]- 174.06863 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.