CID 2761154

4-(3-thien-2-yl-1,2,4-oxadiazol-5-yl)butanoic acid

Structural Information

Molecular Formula
C10H10N2O3S
SMILES
C1=CSC(=C1)C2=NOC(=N2)CCCC(=O)O
InChI
InChI=1S/C10H10N2O3S/c13-9(14)5-1-4-8-11-10(12-15-8)7-3-2-6-16-7/h2-3,6H,1,4-5H2,(H,13,14)
InChIKey
GTNLKFHXTQTTHW-UHFFFAOYSA-N
Compound name
4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.04121 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.04849 149.5
[M+Na]+ 261.03043 159.8
[M-H]- 237.03393 154.5
[M+NH4]+ 256.07503 166.9
[M+K]+ 277.00437 158.1
[M+H-H2O]+ 221.03847 143.2
[M+HCOO]- 283.03941 168.3
[M+CH3COO]- 297.05506 183.8
[M+Na-2H]- 259.01588 150.6
[M]+ 238.04066 155.7
[M]- 238.04176 155.7
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.