CID 85540267

5-formyl-2-methylfuran-3-carboxylic acid

Structural Information

Molecular Formula
C7H6O4
SMILES
CC1=C(C=C(O1)C=O)C(=O)O
InChI
InChI=1S/C7H6O4/c1-4-6(7(9)10)2-5(3-8)11-4/h2-3H,1H3,(H,9,10)
InChIKey
FSEZQVUZNUMBDP-UHFFFAOYSA-N
Compound name
5-formyl-2-methylfuran-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

154.02661 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.03389 126.0
[M+Na]+ 177.01583 135.8
[M-H]- 153.01933 129.9
[M+NH4]+ 172.06043 147.2
[M+K]+ 192.98977 135.9
[M+H-H2O]+ 137.02387 121.7
[M+HCOO]- 199.02481 149.8
[M+CH3COO]- 213.04046 172.3
[M+Na-2H]- 175.00128 131.2
[M]+ 154.02606 129.2
[M]- 154.02716 129.2
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