CID 145875933

2138138-85-7

Structural Information

Molecular Formula
C10H13N3O4
SMILES
COC(=O)C1=C(N=C2N1CC(CC2)C(=O)O)N
InChI
InChI=1S/C10H13N3O4/c1-17-10(16)7-8(11)12-6-3-2-5(9(14)15)4-13(6)7/h5H,2-4,11H2,1H3,(H,14,15)
InChIKey
XHLMHPGXFFDDJE-UHFFFAOYSA-N
Compound name
2-amino-3-methoxycarbonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.0906 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.09788 150.9
[M+Na]+ 262.07982 158.3
[M-H]- 238.08332 151.2
[M+NH4]+ 257.12442 167.5
[M+K]+ 278.05376 156.6
[M+H-H2O]+ 222.08786 144.2
[M+HCOO]- 284.08880 168.3
[M+CH3COO]- 298.10445 191.2
[M+Na-2H]- 260.06527 152.1
[M]+ 239.09005 149.5
[M]- 239.09115 149.5
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

No patent data available for this compound.