CID 61067

2-ethyl-2-methyl-1,3-dioxolane

Structural Information

Molecular Formula
C6H12O2
SMILES
CCC1(OCCO1)C
InChI
InChI=1S/C6H12O2/c1-3-6(2)7-4-5-8-6/h3-5H2,1-2H3
InChIKey
UPZFLZYXYGBAPL-UHFFFAOYSA-N
Compound name
2-ethyl-2-methyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

6201
Patents

116.08373 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.09101 120.8
[M+Na]+ 139.07295 128.3
[M-H]- 115.07645 125.6
[M+NH4]+ 134.11755 144.5
[M+K]+ 155.04689 130.9
[M+H-H2O]+ 99.080990 117.3
[M+HCOO]- 161.08193 142.7
[M+CH3COO]- 175.09758 166.8
[M+Na-2H]- 137.05840 129.7
[M]+ 116.08318 121.8
[M]- 116.08428 121.8
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