CID 176489774

Pmk glycidic acid

Structural Information

Molecular Formula
C11H10O5
SMILES
CC1(C(O1)C2=CC3=C(C=C2)OCO3)C(=O)O
InChI
InChI=1S/C11H10O5/c1-11(10(12)13)9(16-11)6-2-3-7-8(4-6)15-5-14-7/h2-4,9H,5H2,1H3,(H,12,13)
InChIKey
HZXMIVDAWKVPKJ-UHFFFAOYSA-N
Compound name
3-(1,3-benzodioxol-5-yl)-2-methyloxirane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

222.05283 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.06011 142.5
[M+Na]+ 245.04205 153.6
[M-H]- 221.04555 152.3
[M+NH4]+ 240.08665 156.3
[M+K]+ 261.01599 155.0
[M+H-H2O]+ 205.05009 138.2
[M+HCOO]- 267.05103 160.7
[M+CH3COO]- 281.06668 187.4
[M+Na-2H]- 243.02750 150.6
[M]+ 222.05228 149.8
[M]- 222.05338 149.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.