CID 2999879

2-[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]acetic acid

Structural Information

Molecular Formula
C12H14O4
SMILES
CC1(CC2=C(O1)C(=CC=C2)OCC(=O)O)C
InChI
InChI=1S/C12H14O4/c1-12(2)6-8-4-3-5-9(11(8)16-12)15-7-10(13)14/h3-5H,6-7H2,1-2H3,(H,13,14)
InChIKey
BDCGKUGCTFTPLS-UHFFFAOYSA-N
Compound name
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

12
Patents

222.0892 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.09648 146.4
[M+Na]+ 245.07842 155.1
[M-H]- 221.08192 150.7
[M+NH4]+ 240.12302 167.8
[M+K]+ 261.05236 154.3
[M+H-H2O]+ 205.08646 142.1
[M+HCOO]- 267.08740 166.8
[M+CH3COO]- 281.10305 185.6
[M+Na-2H]- 243.06387 152.1
[M]+ 222.08865 149.9
[M]- 222.08975 149.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe