CID 96628042

1368362-53-1

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]+ 183.087646 139.1
[M+Na]+ 205.069588 148.1
[M-H]- 181.073094 137.1
[M+NH4]+ 200.114193 155.8
[M+K]+ 221.043528 146.0
[M+H-H2O]+ 165.077630 131.1
[M+HCOO]- 227.078571 154.8
[M+CH3COO]- 241.094221 178.5
[M+Na-2H]- 203.055036 143.5
[M]+ 182.07982142 137.5
[M]- 182.08091858 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.