CID 33789418

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

Structural Information

Molecular Formula
C9H14N2O3
SMILES
CC(C)(C)C1=NOC(=N1)CCC(=O)O
InChI
InChI=1S/C9H14N2O3/c1-9(2,3)8-10-6(14-11-8)4-5-7(12)13/h4-5H2,1-3H3,(H,12,13)
InChIKey
VKXWNDWYGSUDQN-UHFFFAOYSA-N
Compound name
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.10045 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.10773 143.4
[M+Na]+ 221.08967 153.0
[M+NH4]+ 216.13427 148.8
[M+K]+ 237.06361 152.2
[M-H]- 197.09317 142.4
[M+Na-2H]- 219.07512 146.1
[M]+ 198.09990 144.2
[M]- 198.10100 144.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.