CID 6485991

Pyrazolo[1,5-a]pyrimidine-3-carbaldehyde

Structural Information

Molecular Formula
C7H5N3O
SMILES
C1=CN2C(=C(C=N2)C=O)N=C1
InChI
InChI=1S/C7H5N3O/c11-5-6-4-9-10-3-1-2-8-7(6)10/h1-5H
InChIKey
YEYYVEJZJDFREI-UHFFFAOYSA-N
Compound name
pyrazolo[1,5-a]pyrimidine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

147.04326 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.05054 125.1
[M+Na]+ 170.03248 137.2
[M-H]- 146.03598 126.6
[M+NH4]+ 165.07708 145.6
[M+K]+ 186.00642 134.5
[M+H-H2O]+ 130.04052 117.6
[M+HCOO]- 192.04146 149.0
[M+CH3COO]- 206.05711 140.0
[M+Na-2H]- 168.01793 135.2
[M]+ 147.04271 128.0
[M]- 147.04381 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