CID 2394036

730951-42-5

Structural Information

Molecular Formula
C14H16O3
SMILES
CC1=CC2=C(C=C1C(C)C)C(=CO2)CC(=O)O
InChI
InChI=1S/C14H16O3/c1-8(2)11-6-12-10(5-14(15)16)7-17-13(12)4-9(11)3/h4,6-8H,5H2,1-3H3,(H,15,16)
InChIKey
OSRZHJPDAPUGSU-UHFFFAOYSA-N
Compound name
2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

232.10994 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.11722 151.2
[M+Na]+ 255.09916 160.9
[M-H]- 231.10266 156.1
[M+NH4]+ 250.14376 170.7
[M+K]+ 271.07310 159.0
[M+H-H2O]+ 215.10720 146.3
[M+HCOO]- 277.10814 172.6
[M+CH3COO]- 291.12379 191.5
[M+Na-2H]- 253.08461 154.4
[M]+ 232.10939 156.2
[M]- 232.11049 156.2
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

No patent data available for this compound.