CID 135988484

Methyl 4h,5h,6h,7h-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate

Structural Information

Molecular Formula
C7H10N4O2
SMILES
COC(=O)C1=NN2CCCNC2=N1
InChI
InChI=1S/C7H10N4O2/c1-13-6(12)5-9-7-8-3-2-4-11(7)10-5/h2-4H2,1H3,(H,8,9,10)
InChIKey
PMZDTUQFJNEQNX-UHFFFAOYSA-N
Compound name
methyl 4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.08037 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.08765 139.0
[M+Na]+ 205.06959 147.1
[M-H]- 181.07309 136.6
[M+NH4]+ 200.11419 155.4
[M+K]+ 221.04353 145.0
[M+H-H2O]+ 165.07763 130.6
[M+HCOO]- 227.07857 154.7
[M+CH3COO]- 241.09422 176.7
[M+Na-2H]- 203.05504 144.1
[M]+ 182.07982 136.9
[M]- 182.08092 136.9
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.