CID 29078213

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

Structural Information

Molecular Formula
C10H16N2O3
SMILES
CC(C)(C)C1=NOC(=N1)CCCC(=O)O
InChI
InChI=1S/C10H16N2O3/c1-10(2,3)9-11-7(15-12-9)5-4-6-8(13)14/h4-6H2,1-3H3,(H,13,14)
InChIKey
RRKFXXQFHATUMO-UHFFFAOYSA-N
Compound name
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.11609 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.12337 147.9
[M+Na]+ 235.10531 157.3
[M+NH4]+ 230.14991 153.1
[M+K]+ 251.07925 156.2
[M-H]- 211.10881 146.8
[M+Na-2H]- 233.09076 150.3
[M]+ 212.11554 148.6
[M]- 212.11664 148.6
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.