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

134
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 145.6
[M+Na]+ 243.06278 154.5
[M-H]- 219.06628 154.0
[M+NH4]+ 238.10738 158.6
[M+K]+ 259.03672 155.1
[M+H-H2O]+ 203.07082 139.5
[M+HCOO]- 265.07176 162.6
[M+CH3COO]- 279.08741 158.2
[M+Na-2H]- 241.04823 154.2
[M]+ 220.07301 148.6
[M]- 220.07411 148.6
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