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]+ 238.08223 150.9
[M+Na]+ 260.06417 156.6
[M-H]- 236.06767 152.3
[M+NH4]+ 255.10877 161.5
[M+K]+ 276.03811 155.7
[M+H-H2O]+ 220.07221 141.5
[M+HCOO]- 282.07315 165.1
[M+CH3COO]- 296.08880 185.9
[M+Na-2H]- 258.04962 155.3
[M]+ 237.07440 147.9
[M]- 237.07550 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.