CID 2761153

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

Structural Information

Molecular Formula
C9H8N4O3
SMILES
C1=CN=C(C=N1)C2=NOC(=N2)CCC(=O)O
InChI
InChI=1S/C9H8N4O3/c14-8(15)2-1-7-12-9(13-16-7)6-5-10-3-4-11-6/h3-5H,1-2H2,(H,14,15)
InChIKey
DMKXMTRMGQYKFM-UHFFFAOYSA-N
Compound name
3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.05965 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.06693 145.0
[M+Na]+ 243.04887 154.1
[M-H]- 219.05237 146.2
[M+NH4]+ 238.09347 157.2
[M+K]+ 259.02281 152.3
[M+H-H2O]+ 203.05691 135.6
[M+HCOO]- 265.05785 163.8
[M+CH3COO]- 279.07350 183.0
[M+Na-2H]- 241.03432 151.1
[M]+ 220.05910 147.1
[M]- 220.06020 147.1
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.