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

135
Patents

220.07356 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.080836 145.6
[M+Na]+ 243.062778 154.5
[M-H]- 219.066284 154.0
[M+NH4]+ 238.107383 158.6
[M+K]+ 259.036718 155.1
[M+H-H2O]+ 203.070820 139.5
[M+HCOO]- 265.071761 162.6
[M+CH3COO]- 279.087411 158.2
[M+Na-2H]- 241.048226 154.2
[M]+ 220.07301142 148.6
[M]- 220.07410858 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