CID 6450426

2h-pyran, 3,6-dihydro-4-methyl-2-(1-methyl-1-butenyl)-

Structural Information

Molecular Formula
C11H18O
SMILES
CC/C=C(\C)/[C@H]1CC(=CCO1)C
InChI
InChI=1S/C11H18O/c1-4-5-10(3)11-8-9(2)6-7-12-11/h5-6,11H,4,7-8H2,1-3H3/b10-5+/t11-/m1/s1
InChIKey
GDDOPFZLBBBLQB-IGLBNKAOSA-N
Compound name
(2R)-4-methyl-2-[(E)-pent-2-en-2-yl]-3,6-dihydro-2H-pyran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.13577 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.143046 138.6
[M+Na]+ 189.124988 144.3
[M-H]- 165.128494 142.3
[M+NH4]+ 184.169593 158.1
[M+K]+ 205.098928 143.7
[M+H-H2O]+ 149.133030 133.1
[M+HCOO]- 211.133971 158.2
[M+CH3COO]- 225.149621 180.5
[M+Na-2H]- 187.110436 142.9
[M]+ 166.13522142 137.4
[M]- 166.13631858 137.4
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.