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]+ 223.06011 142.7
[M+Na]+ 245.04205 152.7
[M-H]- 221.04555 151.5
[M+NH4]+ 240.08665 157.4
[M+K]+ 261.01599 153.2
[M+H-H2O]+ 205.05009 138.0
[M+HCOO]- 267.05103 162.1
[M+CH3COO]- 281.06668 185.7
[M+Na-2H]- 243.02750 150.7
[M]+ 222.05228 148.9
[M]- 222.05338 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.