CID 15152331

Imidazo[1,2-a]pyrimidine-2-carbaldehyde

Structural Information

Molecular Formula
C7H5N3O
SMILES
C1=CN2C=C(N=C2N=C1)C=O
InChI
InChI=1S/C7H5N3O/c11-5-6-4-10-3-1-2-8-7(10)9-6/h1-5H
InChIKey
BJPFFMZIQGNKKA-UHFFFAOYSA-N
Compound name
imidazo[1,2-a]pyrimidine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

147.04326 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.050536 125.1
[M+Na]+ 170.032478 137.2
[M-H]- 146.035984 126.6
[M+NH4]+ 165.077083 145.6
[M+K]+ 186.006418 134.5
[M+H-H2O]+ 130.040520 117.6
[M+HCOO]- 192.041461 149.0
[M+CH3COO]- 206.057111 140.0
[M+Na-2H]- 168.017926 135.2
[M]+ 147.04271142 128.0
[M]- 147.04380858 128.0
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