CID 3023261

3,6-dihydro-4,6-dimethyl-2-pentyl-2h-pyran

Structural Information

Molecular Formula
C12H22O
SMILES
CCCCCC1CC(=CC(O1)C)C
InChI
InChI=1S/C12H22O/c1-4-5-6-7-12-9-10(2)8-11(3)13-12/h8,11-12H,4-7,9H2,1-3H3
InChIKey
WGEOMGKTCSAKPW-UHFFFAOYSA-N
Compound name
4,6-dimethyl-2-pentyl-3,6-dihydro-2H-pyran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.16707 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.174346 143.7
[M+Na]+ 205.156288 149.8
[M-H]- 181.159794 147.4
[M+NH4]+ 200.200893 163.0
[M+K]+ 221.130228 149.1
[M+H-H2O]+ 165.164330 138.1
[M+HCOO]- 227.165271 163.7
[M+CH3COO]- 241.180921 185.4
[M+Na-2H]- 203.141736 148.0
[M]+ 182.16652142 144.7
[M]- 182.16761858 144.7
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

No patent data available for this compound.