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]+ 167.14305 138.6
[M+Na]+ 189.12499 144.3
[M-H]- 165.12849 142.3
[M+NH4]+ 184.16959 158.1
[M+K]+ 205.09893 143.7
[M+H-H2O]+ 149.13303 133.1
[M+HCOO]- 211.13397 158.2
[M+CH3COO]- 225.14962 180.5
[M+Na-2H]- 187.11044 142.9
[M]+ 166.13522 137.4
[M]- 166.13632 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.