CID 3017306

2-butyl-5,6-dihydro-2,4-dimethyl-2h-pyran

Structural Information

Molecular Formula
C11H20O
SMILES
CCCCC1(C=C(CCO1)C)C
InChI
InChI=1S/C11H20O/c1-4-5-7-11(3)9-10(2)6-8-12-11/h9H,4-8H2,1-3H3
InChIKey
UQKWXXUNZGHJMP-UHFFFAOYSA-N
Compound name
6-butyl-4,6-dimethyl-2,3-dihydropyran
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

168.15141 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.158686 138.1
[M+Na]+ 191.140628 144.6
[M-H]- 167.144134 142.1
[M+NH4]+ 186.185233 159.7
[M+K]+ 207.114568 144.5
[M+H-H2O]+ 151.148670 133.3
[M+HCOO]- 213.149611 158.5
[M+CH3COO]- 227.165261 180.8
[M+Na-2H]- 189.126076 144.9
[M]+ 168.15086142 138.7
[M]- 168.15195858 138.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe