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

6
Patents

168.15141 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.15869 138.1
[M+Na]+ 191.14063 144.6
[M-H]- 167.14413 142.1
[M+NH4]+ 186.18523 159.7
[M+K]+ 207.11457 144.5
[M+H-H2O]+ 151.14867 133.3
[M+HCOO]- 213.14961 158.5
[M+CH3COO]- 227.16526 180.8
[M+Na-2H]- 189.12608 144.9
[M]+ 168.15086 138.7
[M]- 168.15196 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