CID 14349608

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

Structural Information

Molecular Formula
C11H10O4
SMILES
C1CC1(C2=CC3=C(C=C2)OCO3)C(=O)O
InChI
InChI=1S/C11H10O4/c12-10(13)11(3-4-11)7-1-2-8-9(5-7)15-6-14-8/h1-2,5H,3-4,6H2,(H,12,13)
InChIKey
NZZVDTIYQUASAT-UHFFFAOYSA-N
Compound name
1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

352
Patents

206.0579 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.065176 139.5
[M+Na]+ 229.047118 149.7
[M-H]- 205.050624 148.3
[M+NH4]+ 224.091723 154.9
[M+K]+ 245.021058 149.8
[M+H-H2O]+ 189.055160 134.9
[M+HCOO]- 251.056101 158.8
[M+CH3COO]- 265.071751 153.3
[M+Na-2H]- 227.032566 147.4
[M]+ 206.05735142 144.3
[M]- 206.05844858 144.3
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