CID 57696936

4-(pyrazin-2-yl)butanoic acid

Structural Information

Molecular Formula
C8H10N2O2
SMILES
C1=CN=C(C=N1)CCCC(=O)O
InChI
InChI=1S/C8H10N2O2/c11-8(12)3-1-2-7-6-9-4-5-10-7/h4-6H,1-3H2,(H,11,12)
InChIKey
BZBFTJPMOATYLJ-UHFFFAOYSA-N
Compound name
4-pyrazin-2-ylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

166.07423 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08151 134.3
[M+Na]+ 189.06345 141.7
[M-H]- 165.06695 133.6
[M+NH4]+ 184.10805 151.2
[M+K]+ 205.03739 139.7
[M+H-H2O]+ 149.07149 127.0
[M+HCOO]- 211.07243 154.7
[M+CH3COO]- 225.08808 175.0
[M+Na-2H]- 187.04890 141.4
[M]+ 166.07368 134.5
[M]- 166.07478 134.5
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

patents stripe