CID 6475127

(e)-5-(pyrazine-2-carbonylamino)pent-2-enoic acid

Structural Information

Molecular Formula
C10H11N3O3
SMILES
C1=CN=C(C=N1)C(=O)NCC/C=C/C(=O)O
InChI
InChI=1S/C10H11N3O3/c14-9(15)3-1-2-4-13-10(16)8-7-11-5-6-12-8/h1,3,5-7H,2,4H2,(H,13,16)(H,14,15)/b3-1+
InChIKey
FRMYEZNZFLAXIA-HNQUOIGGSA-N
Compound name
(E)-5-(pyrazine-2-carbonylamino)pent-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.08005 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.08733 148.2
[M+Na]+ 244.06927 154.2
[M-H]- 220.07277 147.5
[M+NH4]+ 239.11387 162.4
[M+K]+ 260.04321 151.5
[M+H-H2O]+ 204.07731 140.2
[M+HCOO]- 266.07825 168.7
[M+CH3COO]- 280.09390 186.0
[M+Na-2H]- 242.05472 153.5
[M]+ 221.07950 147.6
[M]- 221.08060 147.6
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.