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

17
Patents

128.04735 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.05463 122.7
[M+Na]+ 151.03657 130.7
[M-H]- 127.04007 125.9
[M+NH4]+ 146.08117 144.6
[M+K]+ 167.01051 131.3
[M+H-H2O]+ 111.04461 118.4
[M+HCOO]- 173.04555 144.9
[M+CH3COO]- 187.06120 167.1
[M+Na-2H]- 149.02202 127.9
[M]+ 128.04680 122.8
[M]- 128.04790 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