CID 2735244

175137-64-1

Structural Information

Molecular Formula
C9H10N4O
SMILES
CC1=NN2C(=C(N=NC2=C1)C(=O)C)C
InChI
InChI=1S/C9H10N4O/c1-5-4-8-10-11-9(7(3)14)6(2)13(8)12-5/h4H,1-3H3
InChIKey
PQIOJSDFJAOESL-UHFFFAOYSA-N
Compound name
1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

190.08546 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.092736 140.0
[M+Na]+ 213.074678 152.8
[M-H]- 189.078184 140.7
[M+NH4]+ 208.119283 157.9
[M+K]+ 229.048618 149.7
[M+H-H2O]+ 173.082720 132.1
[M+HCOO]- 235.083661 160.7
[M+CH3COO]- 249.099311 185.1
[M+Na-2H]- 211.060126 146.2
[M]+ 190.08491142 144.3
[M]- 190.08600858 144.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe