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

79
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 126.1
[M+Na]+ 170.03248 140.7
[M+NH4]+ 165.07708 134.4
[M+K]+ 186.00642 136.0
[M-H]- 146.03598 126.7
[M+Na-2H]- 168.01793 133.8
[M]+ 147.04271 128.3
[M]- 147.04381 128.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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