CID 559995

2035-08-7

Structural Information

Molecular Formula
C8H16O2
SMILES
CC(C)CC1(OCCO1)C
InChI
InChI=1S/C8H16O2/c1-7(2)6-8(3)9-4-5-10-8/h7H,4-6H2,1-3H3
InChIKey
BVRDPBHMGKJNEJ-UHFFFAOYSA-N
Compound name
2-methyl-2-(2-methylpropyl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

144.11504 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.12232 131.1
[M+Na]+ 167.10426 137.4
[M-H]- 143.10776 135.6
[M+NH4]+ 162.14886 153.6
[M+K]+ 183.07820 139.9
[M+H-H2O]+ 127.11230 127.3
[M+HCOO]- 189.11324 151.3
[M+CH3COO]- 203.12889 173.7
[M+Na-2H]- 165.08971 137.5
[M]+ 144.11449 132.1
[M]- 144.11559 132.1
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