CID 91148

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

Structural Information

Molecular Formula
C11H20O
SMILES
CCCCC1CC(=CC(O1)C)C
InChI
InChI=1S/C11H20O/c1-4-5-6-11-8-9(2)7-10(3)12-11/h7,10-11H,4-6,8H2,1-3H3
InChIKey
KBFFVAYZFNJXAW-UHFFFAOYSA-N
Compound name
2-butyl-4,6-dimethyl-3,6-dihydro-2H-pyran
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

137
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

No literature data available for this compound.

Patent stripe

patents stripe