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

16
Patents

106.04186 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.04914 116.9
[M+Na]+ 129.03108 128.9
[M-H]- 105.03458 120.1
[M+NH4]+ 124.07568 138.2
[M+K]+ 145.00502 126.9
[M+H-H2O]+ 89.039120 106.2
[M+HCOO]- 151.04006 136.4
[M+CH3COO]- 165.05571 176.5
[M+Na-2H]- 127.01653 123.6
[M]+ 106.04131 113.2
[M]- 106.04241 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