CID 23635226

5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbaldehyde

Structural Information

Molecular Formula
C8H8N4O
SMILES
CC1=CC(=NC2=NC(=NN12)C=O)C
InChI
InChI=1S/C8H8N4O/c1-5-3-6(2)12-8(9-5)10-7(4-13)11-12/h3-4H,1-2H3
InChIKey
WSPTZMRMBBUVSH-UHFFFAOYSA-N
Compound name
5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

176.06981 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.07709 135.6
[M+Na]+ 199.05903 150.4
[M+NH4]+ 194.10363 142.8
[M+K]+ 215.03297 146.2
[M-H]- 175.06253 135.5
[M+Na-2H]- 197.04448 141.9
[M]+ 176.06926 137.6
[M]- 176.07036 137.6
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

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