CID 45356731

Methyl imidazo[1,2-a]pyrimidine-6-carboxylate

Structural Information

Molecular Formula
C8H7N3O2
SMILES
COC(=O)C1=CN2C=CN=C2N=C1
InChI
InChI=1S/C8H7N3O2/c1-13-7(12)6-4-10-8-9-2-3-11(8)5-6/h2-5H,1H3
InChIKey
UXVKCJJXFHSBHE-UHFFFAOYSA-N
Compound name
methyl imidazo[1,2-a]pyrimidine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

177.05383 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.06111 133.4
[M+Na]+ 200.04305 144.6
[M-H]- 176.04655 134.8
[M+NH4]+ 195.08765 152.5
[M+K]+ 216.01699 142.6
[M+H-H2O]+ 160.05109 125.6
[M+HCOO]- 222.05203 156.1
[M+CH3COO]- 236.06768 178.2
[M+Na-2H]- 198.02850 141.7
[M]+ 177.05328 137.3
[M]- 177.05438 137.3
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