CID 78175

4,4-dimethyl-5-methylene-1,3-dioxolan-2-one

Structural Information

Molecular Formula
C6H8O3
SMILES
CC1(C(=C)OC(=O)O1)C
InChI
InChI=1S/C6H8O3/c1-4-6(2,3)9-5(7)8-4/h1H2,2-3H3
InChIKey
WUGCPRNXGBZRMC-UHFFFAOYSA-N
Compound name
4,4-dimethyl-5-methylidene-1,3-dioxolan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1074
Patents

128.04735 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.05463 118.7
[M+Na]+ 151.03657 128.7
[M-H]- 127.04007 124.4
[M+NH4]+ 146.08117 142.4
[M+K]+ 167.01051 130.4
[M+H-H2O]+ 111.04461 116.0
[M+HCOO]- 173.04555 141.3
[M+CH3COO]- 187.06120 169.4
[M+Na-2H]- 149.02202 126.7
[M]+ 128.04680 120.7
[M]- 128.04790 120.7
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