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
6
Annotation Hits

0
References

1509
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 119.8
[M+Na]+ 139.07295 128.2
[M-H]- 115.07645 125.0
[M+NH4]+ 134.11755 143.8
[M+K]+ 155.04689 130.7
[M+H-H2O]+ 99.080990 116.6
[M+HCOO]- 161.08193 141.7
[M+CH3COO]- 175.09758 167.9
[M+Na-2H]- 137.05840 128.1
[M]+ 116.08318 121.2
[M]- 116.08428 121.2
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