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]+ 183.087646 139.0
[M+Na]+ 205.069588 147.1
[M-H]- 181.073094 136.6
[M+NH4]+ 200.114193 155.4
[M+K]+ 221.043528 145.0
[M+H-H2O]+ 165.077630 130.6
[M+HCOO]- 227.078571 154.7
[M+CH3COO]- 241.094221 176.7
[M+Na-2H]- 203.055036 144.1
[M]+ 182.07982142 136.9
[M]- 182.08091858 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.