CID 98461

2-isopropyl-4-methyl-1,3-dioxolane

Structural Information

Molecular Formula
C7H14O2
SMILES
CC1COC(O1)C(C)C
InChI
InChI=1S/C7H14O2/c1-5(2)7-8-4-6(3)9-7/h5-7H,4H2,1-3H3
InChIKey
NWXXKKDLGZLEGH-UHFFFAOYSA-N
Compound name
4-methyl-2-propan-2-yl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

43
Patents

130.09938 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.10666 126.6
[M+Na]+ 153.08860 137.0
[M+NH4]+ 148.13320 135.3
[M+K]+ 169.06254 134.7
[M-H]- 129.09210 130.3
[M+Na-2H]- 151.07405 129.8
[M]+ 130.09883 129.0
[M]- 130.09993 129.0
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

patents stripe