CID 114530

Dihydroroseoxide

Structural Information

Molecular Formula
C10H20O
SMILES
CC1CCOC(C1)CC(C)C
InChI
InChI=1S/C10H20O/c1-8(2)6-10-7-9(3)4-5-11-10/h8-10H,4-7H2,1-3H3
InChIKey
LETLQGKRPMMKKC-UHFFFAOYSA-N
Compound name
4-methyl-2-(2-methylpropyl)oxane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

245
Patents

156.15141 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.15869 136.7
[M+Na]+ 179.14063 147.8
[M+NH4]+ 174.18523 145.9
[M+K]+ 195.11457 141.8
[M-H]- 155.14413 140.3
[M+Na-2H]- 177.12608 141.1
[M]+ 156.15086 139.3
[M]- 156.15196 139.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe