CID 186148

2h-pyran

Structural Information

Molecular Formula
C5H6O
SMILES
C1C=CC=CO1
InChI
InChI=1S/C5H6O/c1-2-4-6-5-3-1/h1-4H,5H2
InChIKey
MGADZUXDNSDTHW-UHFFFAOYSA-N
Compound name
2H-pyran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7127
References

206262
Patents

82.04186 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 83.049136 110.2
[M+Na]+ 105.031078 117.4
[M-H]- 81.034584 114.4
[M+NH4]+ 100.075683 132.6
[M+K]+ 121.005018 118.4
[M+H-H2O]+ 65.039120 105.3
[M+HCOO]- 127.040061 134.0
[M+CH3COO]- 141.055711 160.5
[M+Na-2H]- 103.016526 121.5
[M]+ 82.04131142 108.9
[M]- 82.04240858 108.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe