CID 3047542

63704-57-4

Structural Information

Molecular Formula
C11H18O2
SMILES
CCCCOC1(C=CC=C(O1)C)C
InChI
InChI=1S/C11H18O2/c1-4-5-9-12-11(3)8-6-7-10(2)13-11/h6-8H,4-5,9H2,1-3H3
InChIKey
YAURLTGVECUOOA-UHFFFAOYSA-N
Compound name
2-butoxy-2,6-dimethylpyran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.13068 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.137956 139.6
[M+Na]+ 205.119898 147.1
[M-H]- 181.123404 144.0
[M+NH4]+ 200.164503 160.7
[M+K]+ 221.093838 147.3
[M+H-H2O]+ 165.127940 134.6
[M+HCOO]- 227.128881 161.7
[M+CH3COO]- 241.144531 182.4
[M+Na-2H]- 203.105346 147.4
[M]+ 182.13013142 143.1
[M]- 182.13122858 143.1
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

No patent data available for this compound.