CID 62384

2,2,4-trimethyl-1,3-dioxolane

Structural Information

Molecular Formula
C6H12O2
SMILES
CC1COC(O1)(C)C
InChI
InChI=1S/C6H12O2/c1-5-4-7-6(2,3)8-5/h5H,4H2,1-3H3
InChIKey
ALTFLAPROMVXNX-UHFFFAOYSA-N
Compound name
2,2,4-trimethyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

1302
Patents

116.08373 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.09101 120.9
[M+Na]+ 139.07295 132.0
[M+NH4]+ 134.11755 131.4
[M+K]+ 155.04689 127.6
[M-H]- 115.07645 124.9
[M+Na-2H]- 137.05840 126.4
[M]+ 116.08318 123.8
[M]- 116.08428 123.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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