CID 52903804

5-{[(tert-butoxy)carbonyl]amino}pyrazine-2-carboxylic acid

Structural Information

Molecular Formula
C10H13N3O4
SMILES
CC(C)(C)OC(=O)NC1=NC=C(N=C1)C(=O)O
InChI
InChI=1S/C10H13N3O4/c1-10(2,3)17-9(16)13-7-5-11-6(4-12-7)8(14)15/h4-5H,1-3H3,(H,14,15)(H,12,13,16)
InChIKey
MOLNWRVQKCBISZ-UHFFFAOYSA-N
Compound name
5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

239.0906 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.09788 152.3
[M+Na]+ 262.07982 159.3
[M-H]- 238.08332 152.4
[M+NH4]+ 257.12442 166.3
[M+K]+ 278.05376 158.4
[M+H-H2O]+ 222.08786 145.1
[M+HCOO]- 284.08880 171.2
[M+CH3COO]- 298.10445 189.9
[M+Na-2H]- 260.06527 157.8
[M]+ 239.09005 153.7
[M]- 239.09115 153.7
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