CID 5081313

3-(morpholine-4-carbonyl)pyrazine-2-carboxylic acid

Structural Information

Molecular Formula
C10H11N3O4
SMILES
C1COCCN1C(=O)C2=NC=CN=C2C(=O)O
InChI
InChI=1S/C10H11N3O4/c14-9(13-3-5-17-6-4-13)7-8(10(15)16)12-2-1-11-7/h1-2H,3-6H2,(H,15,16)
InChIKey
WOWZYGCJBHGTJM-UHFFFAOYSA-N
Compound name
3-(morpholine-4-carbonyl)pyrazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.07495 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.082226 150.9
[M+Na]+ 260.064168 156.6
[M-H]- 236.067674 152.3
[M+NH4]+ 255.108773 161.5
[M+K]+ 276.038108 155.7
[M+H-H2O]+ 220.072210 141.5
[M+HCOO]- 282.073151 165.1
[M+CH3COO]- 296.088801 185.9
[M+Na-2H]- 258.049616 155.3
[M]+ 237.07440142 147.9
[M]- 237.07549858 147.9
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.