CID 19793914

33522-15-5

Structural Information

Molecular Formula
C11H10O3
SMILES
C1CC1(C=O)C2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C11H10O3/c12-6-11(3-4-11)8-1-2-9-10(5-8)14-7-13-9/h1-2,5-6H,3-4,7H2
InChIKey
HMUCNHQJQSOIQC-UHFFFAOYSA-N
Compound name
1-(1,3-benzodioxol-5-yl)cyclopropane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

190.06299 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.070266 137.1
[M+Na]+ 213.052208 148.1
[M-H]- 189.055714 147.2
[M+NH4]+ 208.096813 154.0
[M+K]+ 229.026148 148.3
[M+H-H2O]+ 173.060250 132.1
[M+HCOO]- 235.061191 158.6
[M+CH3COO]- 249.076841 151.8
[M+Na-2H]- 211.037656 146.3
[M]+ 190.06244142 142.6
[M]- 190.06353858 142.6
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