CID 91147

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

Structural Information

Molecular Formula
C11H20O
SMILES
CCCCC1C=C(CC(O1)C)C
InChI
InChI=1S/C11H20O/c1-4-5-6-11-8-9(2)7-10(3)12-11/h8,10-11H,4-7H2,1-3H3
InChIKey
OSMLMQQJZVENMX-UHFFFAOYSA-N
Compound name
6-butyl-2,4-dimethyl-3,6-dihydro-2H-pyran
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

593
Patents

168.15141 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.158686 138.9
[M+Na]+ 191.140628 145.5
[M-H]- 167.144134 142.9
[M+NH4]+ 186.185233 158.8
[M+K]+ 207.114568 145.1
[M+H-H2O]+ 151.148670 133.6
[M+HCOO]- 213.149611 159.3
[M+CH3COO]- 227.165261 182.3
[M+Na-2H]- 189.126076 143.9
[M]+ 168.15086142 139.6
[M]- 168.15195858 139.6
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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