CID 19373902

2-(3-methylfuran-2-yl)acetic acid

Structural Information

Molecular Formula
C7H8O3
SMILES
CC1=C(OC=C1)CC(=O)O
InChI
InChI=1S/C7H8O3/c1-5-2-3-10-6(5)4-7(8)9/h2-3H,4H2,1H3,(H,8,9)
InChIKey
CBSHDIOVDAMDFJ-UHFFFAOYSA-N
Compound name
2-(3-methylfuran-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

140.04735 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.05463 126.3
[M+Na]+ 163.03657 137.2
[M+NH4]+ 158.08117 134.0
[M+K]+ 179.01051 134.9
[M-H]- 139.04007 127.7
[M+Na-2H]- 161.02202 130.5
[M]+ 140.04680 128.0
[M]- 140.04790 128.0
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