CID 13128184

3,3-dimethyl-5-methylideneoxolan-2-one

Structural Information

Molecular Formula
C7H10O2
SMILES
CC1(CC(=C)OC1=O)C
InChI
InChI=1S/C7H10O2/c1-5-4-7(2,3)6(8)9-5/h1,4H2,2-3H3
InChIKey
RHMKVZYODWKRFD-UHFFFAOYSA-N
Compound name
3,3-dimethyl-5-methylideneoxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

126.06808 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.075356 120.5
[M+Na]+ 149.057298 130.1
[M-H]- 125.060804 125.4
[M+NH4]+ 144.101903 145.7
[M+K]+ 165.031238 130.2
[M+H-H2O]+ 109.065340 117.5
[M+HCOO]- 171.066281 143.5
[M+CH3COO]- 185.081931 170.1
[M+Na-2H]- 147.042746 126.9
[M]+ 126.06753142 120.7
[M]- 126.06862858 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