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]+ 183.13796 139.6
[M+Na]+ 205.11990 147.1
[M-H]- 181.12340 144.0
[M+NH4]+ 200.16450 160.7
[M+K]+ 221.09384 147.3
[M+H-H2O]+ 165.12794 134.6
[M+HCOO]- 227.12888 161.7
[M+CH3COO]- 241.14453 182.4
[M+Na-2H]- 203.10535 147.4
[M]+ 182.13013 143.1
[M]- 182.13123 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.