CID 138034

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

Structural Information

Molecular Formula
C6H8O2
SMILES
CC1=CCCC(=O)O1
InChI
InChI=1S/C6H8O2/c1-5-3-2-4-6(7)8-5/h3H,2,4H2,1H3
InChIKey
DOSOPEZOHKMQPJ-UHFFFAOYSA-N
Compound name
6-methyl-3,4-dihydropyran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

112.05243 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.05971 117.6
[M+Na]+ 135.04165 125.6
[M-H]- 111.04515 122.2
[M+NH4]+ 130.08625 139.3
[M+K]+ 151.01559 126.4
[M+H-H2O]+ 95.049690 112.9
[M+HCOO]- 157.05063 140.2
[M+CH3COO]- 171.06628 167.1
[M+Na-2H]- 133.02710 126.1
[M]+ 112.05188 116.9
[M]- 112.05298 116.9
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