CID 91600766

3,4-mdp-2-p methyl glycidate

Structural Information

Molecular Formula
C12H12O5
SMILES
CC1(C(O1)C2=CC3=C(C=C2)OCO3)C(=O)OC
InChI
InChI=1S/C12H12O5/c1-12(11(13)14-2)10(17-12)7-3-4-8-9(5-7)16-6-15-8/h3-5,10H,6H2,1-2H3
InChIKey
NEWFBAYQRLTJTP-UHFFFAOYSA-N
Compound name
methyl 3-(1,3-benzodioxol-5-yl)-2-methyloxirane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

2
Patents

236.06847 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.075746 147.9
[M+Na]+ 259.057688 159.0
[M-H]- 235.061194 158.9
[M+NH4]+ 254.102293 161.9
[M+K]+ 275.031628 161.2
[M+H-H2O]+ 219.065730 143.2
[M+HCOO]- 281.066671 167.2
[M+CH3COO]- 295.082321 191.9
[M+Na-2H]- 257.043136 155.8
[M]+ 236.06792142 157.1
[M]- 236.06901858 157.1
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