CID 11051653

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

Structural Information

Molecular Formula
C7H10O2
SMILES
CC1CC(=O)C=C(O1)C
InChI
InChI=1S/C7H10O2/c1-5-3-7(8)4-6(2)9-5/h3,6H,4H2,1-2H3
InChIKey
FYKXIEUYDYWTTO-UHFFFAOYSA-N
Compound name
2,6-dimethyl-2,3-dihydropyran-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

126.06808 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.075356 121.6
[M+Na]+ 149.057298 130.1
[M-H]- 125.060804 126.4
[M+NH4]+ 144.101903 143.1
[M+K]+ 165.031238 130.7
[M+H-H2O]+ 109.065340 117.0
[M+HCOO]- 171.066281 143.8
[M+CH3COO]- 185.081931 171.3
[M+Na-2H]- 147.042746 128.9
[M]+ 126.06753142 121.6
[M]- 126.06862858 121.6
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

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