CID 567148

2,6-diethyl-3,5-dimethyl-3,4-dihydro-2h-pyran

Structural Information

Molecular Formula
C11H20O
SMILES
CCC1C(CC(=C(O1)CC)C)C
InChI
InChI=1S/C11H20O/c1-5-10-8(3)7-9(4)11(6-2)12-10/h8,10H,5-7H2,1-4H3
InChIKey
DCFJGGUMNKFZSD-UHFFFAOYSA-N
Compound name
2,6-diethyl-3,5-dimethyl-3,4-dihydro-2H-pyran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

168.15141 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.158686 138.1
[M+Na]+ 191.140628 145.6
[M-H]- 167.144134 142.6
[M+NH4]+ 186.185233 158.4
[M+K]+ 207.114568 145.3
[M+H-H2O]+ 151.148670 133.1
[M+HCOO]- 213.149611 158.5
[M+CH3COO]- 227.165261 183.5
[M+Na-2H]- 189.126076 142.5
[M]+ 168.15086142 139.2
[M]- 168.15195858 139.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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