CID 45156407

100191-39-7

Structural Information

Molecular Formula
C6H8O3
SMILES
CC1=C(CCO1)C(=O)O
InChI
InChI=1S/C6H8O3/c1-4-5(6(7)8)2-3-9-4/h2-3H2,1H3,(H,7,8)
InChIKey
FFOIBOBGLQIZSB-UHFFFAOYSA-N
Compound name
5-methyl-2,3-dihydrofuran-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

128.04735 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.054626 122.7
[M+Na]+ 151.036568 130.7
[M-H]- 127.040074 125.9
[M+NH4]+ 146.081173 144.6
[M+K]+ 167.010508 131.3
[M+H-H2O]+ 111.044610 118.4
[M+HCOO]- 173.045551 144.9
[M+CH3COO]- 187.061201 167.1
[M+Na-2H]- 149.022016 127.9
[M]+ 128.04680142 122.8
[M]- 128.04789858 122.8
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