CID 43113941

2-furoic acid,5-[(isobutylthio)methyl]-

Structural Information

Molecular Formula
C10H14O3S
SMILES
CC(C)CSCC1=CC=C(O1)C(=O)O
InChI
InChI=1S/C10H14O3S/c1-7(2)5-14-6-8-3-4-9(13-8)10(11)12/h3-4,7H,5-6H2,1-2H3,(H,11,12)
InChIKey
TVRVNZCPVCZDPW-UHFFFAOYSA-N
Compound name
5-(2-methylpropylsulfanylmethyl)furan-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.06636 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.07364 148.2
[M+Na]+ 237.05558 157.4
[M+NH4]+ 232.10018 155.5
[M+K]+ 253.02952 153.2
[M-H]- 213.05908 149.4
[M+Na-2H]- 235.04103 150.3
[M]+ 214.06581 150.1
[M]- 214.06691 150.1
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

No patent data available for this compound.