CID 136801026

5,7-dimethyl-4h,7h-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbaldehyde

Structural Information

Molecular Formula
C8H10N4O
SMILES
CC1C(=C(NC2=NC=NN12)C)C=O
InChI
InChI=1S/C8H10N4O/c1-5-7(3-13)6(2)12-8(11-5)9-4-10-12/h3-4,6H,1-2H3,(H,9,10,11)
InChIKey
DBYVMSTVSNTPQW-UHFFFAOYSA-N
Compound name
5,7-dimethyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.08546 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.09274 139.4
[M+Na]+ 201.07468 150.4
[M-H]- 177.07818 137.9
[M+NH4]+ 196.11928 156.9
[M+K]+ 217.04862 146.7
[M+H-H2O]+ 161.08272 131.6
[M+HCOO]- 223.08366 157.1
[M+CH3COO]- 237.09931 179.3
[M+Na-2H]- 199.06013 144.6
[M]+ 178.08491 139.2
[M]- 178.08601 139.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.