CID 9167334

15341-68-1

Structural Information

Molecular Formula
C7H8O4
SMILES
CC1=C(C=C(O1)CO)C(=O)O
InChI
InChI=1S/C7H8O4/c1-4-6(7(9)10)2-5(3-8)11-4/h2,8H,3H2,1H3,(H,9,10)
InChIKey
CUGVJULTCGYVRR-UHFFFAOYSA-N
Compound name
5-(hydroxymethyl)-2-methylfuran-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

156.04225 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04953 128.4
[M+Na]+ 179.03147 137.4
[M-H]- 155.03497 130.8
[M+NH4]+ 174.07607 148.8
[M+K]+ 195.00541 137.2
[M+H-H2O]+ 139.03951 124.1
[M+HCOO]- 201.04045 150.4
[M+CH3COO]- 215.05610 170.6
[M+Na-2H]- 177.01692 132.9
[M]+ 156.04170 130.3
[M]- 156.04280 130.3
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