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

8
Patents

168.15141 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.15869 139.4
[M+Na]+ 191.14063 145.1
[M-H]- 167.14413 143.0
[M+NH4]+ 186.18523 159.1
[M+K]+ 207.11457 144.4
[M+H-H2O]+ 151.14867 134.1
[M+HCOO]- 213.14961 158.5
[M+CH3COO]- 227.16526 181.9
[M+Na-2H]- 189.12608 143.3
[M]+ 168.15086 137.9
[M]- 168.15196 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