CID 12382124

Imidazo[1,2-a]pyrimidine-3-carboxylic acid

Structural Information

Molecular Formula
C7H5N3O2
SMILES
C1=CN2C(=CN=C2N=C1)C(=O)O
InChI
InChI=1S/C7H5N3O2/c11-6(12)5-4-9-7-8-2-1-3-10(5)7/h1-4H,(H,11,12)
InChIKey
HZXJBCVANGLSGC-UHFFFAOYSA-N
Compound name
imidazo[1,2-a]pyrimidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

163.03818 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.04546 129.1
[M+Na]+ 186.02740 140.2
[M-H]- 162.03090 129.3
[M+NH4]+ 181.07200 148.0
[M+K]+ 202.00134 137.6
[M+H-H2O]+ 146.03544 121.8
[M+HCOO]- 208.03638 150.6
[M+CH3COO]- 222.05203 143.0
[M+Na-2H]- 184.01285 137.5
[M]+ 163.03763 130.9
[M]- 163.03873 130.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe