CID 85360

3,6-dihydro-4-methyl-2h-pyran

Structural Information

Molecular Formula
C6H10O
SMILES
CC1=CCOCC1
InChI
InChI=1S/C6H10O/c1-6-2-4-7-5-3-6/h2H,3-5H2,1H3
InChIKey
PQGPYWUIWWYUGU-UHFFFAOYSA-N
Compound name
4-methyl-3,6-dihydro-2H-pyran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

711
Patents

98.073166 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.080442 116.5
[M+Na]+ 121.062384 123.2
[M-H]- 97.065890 120.6
[M+NH4]+ 116.106989 138.5
[M+K]+ 137.036324 124.2
[M+H-H2O]+ 81.070426 111.6
[M+HCOO]- 143.071367 138.6
[M+CH3COO]- 157.087017 164.9
[M+Na-2H]- 119.047832 125.6
[M]+ 98.07261742 114.5
[M]- 98.07371458 114.5
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