CID 39244281

2307751-73-9

Structural Information

Molecular Formula
C12H12O4
SMILES
C1COC2=C(O1)C=CC(=C2)[C@@H]3C[C@H]3C(=O)O
InChI
InChI=1S/C12H12O4/c13-12(14)9-6-8(9)7-1-2-10-11(5-7)16-4-3-15-10/h1-2,5,8-9H,3-4,6H2,(H,13,14)/t8-,9+/m0/s1
InChIKey
UAAGUSBYBOKQCT-DTWKUNHWSA-N
Compound name
(1R,2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 144.4
[M+Na]+ 243.06278 153.4
[M-H]- 219.06628 152.8
[M+NH4]+ 238.10738 155.8
[M+K]+ 259.03672 152.9
[M+H-H2O]+ 203.07082 137.7
[M+HCOO]- 265.07176 161.8
[M+CH3COO]- 279.08741 188.6
[M+Na-2H]- 241.04823 151.4
[M]+ 220.07301 147.3
[M]- 220.07411 147.3
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

No patent data available for this compound.