CID 91149

2h-pyran, 2-butyltetrahydro-6-methyl-4-methylene-

Structural Information

Molecular Formula
C11H20O
SMILES
CCCCC1CC(=C)CC(O1)C
InChI
InChI=1S/C11H20O/c1-4-5-6-11-8-9(2)7-10(3)12-11/h10-11H,2,4-8H2,1,3H3
InChIKey
XPOKALKENSYQGX-UHFFFAOYSA-N
Compound name
2-butyl-6-methyl-4-methylideneoxane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

14
Patents

168.15141 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.158686 139.4
[M+Na]+ 191.140628 145.1
[M-H]- 167.144134 143.0
[M+NH4]+ 186.185233 159.1
[M+K]+ 207.114568 144.4
[M+H-H2O]+ 151.148670 134.1
[M+HCOO]- 213.149611 158.5
[M+CH3COO]- 227.165261 181.9
[M+Na-2H]- 189.126076 143.3
[M]+ 168.15086142 137.9
[M]- 168.15195858 137.9
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