CID 12428018

2-ethynyl-5-methylfuran

Structural Information

Molecular Formula
C7H6O
SMILES
CC1=CC=C(O1)C#C
InChI
InChI=1S/C7H6O/c1-3-7-5-4-6(2)8-7/h1,4-5H,2H3
InChIKey
XLRATKAEINFNOO-UHFFFAOYSA-N
Compound name
2-ethynyl-5-methylfuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

106.04186 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.049136 116.9
[M+Na]+ 129.031078 128.9
[M-H]- 105.034584 120.1
[M+NH4]+ 124.075683 138.2
[M+K]+ 145.005018 126.9
[M+H-H2O]+ 89.039120 106.2
[M+HCOO]- 151.040061 136.4
[M+CH3COO]- 165.055711 176.5
[M+Na-2H]- 127.016526 123.6
[M]+ 106.04131142 113.2
[M]- 106.04240858 113.2
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

patents stripe