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

355
Patents

206.0579 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06518 139.5
[M+Na]+ 229.04712 149.7
[M-H]- 205.05062 148.3
[M+NH4]+ 224.09172 154.9
[M+K]+ 245.02106 149.8
[M+H-H2O]+ 189.05516 134.9
[M+HCOO]- 251.05610 158.8
[M+CH3COO]- 265.07175 153.3
[M+Na-2H]- 227.03257 147.4
[M]+ 206.05735 144.3
[M]- 206.05845 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