CID 165900575

1-(1,3-dioxaindan-5-yloxy)cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C11H10O5
SMILES
C1CC1(C(=O)O)OC2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C11H10O5/c12-10(13)11(3-4-11)16-7-1-2-8-9(5-7)15-6-14-8/h1-2,5H,3-4,6H2,(H,12,13)
InChIKey
KAXBNEBBXKOLBQ-UHFFFAOYSA-N
Compound name
1-(1,3-benzodioxol-5-yloxy)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.05283 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.060106 142.7
[M+Na]+ 245.042048 152.7
[M-H]- 221.045554 151.5
[M+NH4]+ 240.086653 157.4
[M+K]+ 261.015988 153.2
[M+H-H2O]+ 205.050090 138.0
[M+HCOO]- 267.051031 162.1
[M+CH3COO]- 281.066681 185.7
[M+Na-2H]- 243.027496 150.7
[M]+ 222.05228142 148.9
[M]- 222.05337858 148.9
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.