CID 96628042

4-methyl-4h,5h,6h,7h-[1,2,3]triazolo[1,5-a]pyrimidine-3-carboxylicacid

Structural Information

Molecular Formula
C7H10N4O2
SMILES
CN1CCCN2C1=C(N=N2)C(=O)O
InChI
InChI=1S/C7H10N4O2/c1-10-3-2-4-11-6(10)5(7(12)13)8-9-11/h2-4H2,1H3,(H,12,13)
InChIKey
BKPYDQDXGLMYQQ-UHFFFAOYSA-N
Compound name
4-methyl-6,7-dihydro-5H-triazolo[1,5-a]pyrimidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.08037 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.08765 139.1
[M+Na]+ 205.06959 148.1
[M-H]- 181.07309 137.1
[M+NH4]+ 200.11419 155.8
[M+K]+ 221.04353 146.0
[M+H-H2O]+ 165.07763 131.1
[M+HCOO]- 227.07857 154.8
[M+CH3COO]- 241.09422 178.5
[M+Na-2H]- 203.05504 143.5
[M]+ 182.07982 137.5
[M]- 182.08092 137.5
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.