CID 36689960

Rac-(1r,2r)-2-(1,3-dioxaindan-5-yl)cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C11H10O4
SMILES
C1[C@H]([C@@H]1C(=O)O)C2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C11H10O4/c12-11(13)8-4-7(8)6-1-2-9-10(3-6)15-5-14-9/h1-3,7-8H,4-5H2,(H,12,13)/t7-,8+/m0/s1
InChIKey
SEACYFQFBLSTIZ-JGVFFNPUSA-N
Compound name
trans-(1R,2R)-2-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

206.0579 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.065176 138.7
[M+Na]+ 229.047118 149.0
[M-H]- 205.050624 147.5
[M+NH4]+ 224.091723 152.5
[M+K]+ 245.021058 148.0
[M+H-H2O]+ 189.055160 133.4
[M+HCOO]- 251.056101 158.3
[M+CH3COO]- 265.071751 185.2
[M+Na-2H]- 227.032566 144.9
[M]+ 206.05735142 143.4
[M]- 206.05844858 143.4
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

patents stripe