CID 43151773

936727-94-5

Structural Information

Molecular Formula
C12H12O4
SMILES
C1CC1(C2=CC3=C(C=C2)OCCO3)C(=O)O
InChI
InChI=1S/C12H12O4/c13-11(14)12(3-4-12)8-1-2-9-10(7-8)16-6-5-15-9/h1-2,7H,3-6H2,(H,13,14)
InChIKey
QVXPITFURMQHIV-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

130
Patents

220.07356 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.08084 150.3
[M+Na]+ 243.06278 164.3
[M+NH4]+ 238.10738 160.6
[M+K]+ 259.03672 158.9
[M-H]- 219.06628 162.8
[M+Na-2H]- 241.04823 159.2
[M]+ 220.07301 157.2
[M]- 220.07411 157.2
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