CID 16459512

907971-17-9

Structural Information

Molecular Formula
C9H10N4O
SMILES
CC1=C(C(=NC2=NC=NN12)C)C(=O)C
InChI
InChI=1S/C9H10N4O/c1-5-8(7(3)14)6(2)13-9(12-5)10-4-11-13/h4H,1-3H3
InChIKey
ZFXIRWCJPZRNJH-UHFFFAOYSA-N
Compound name
1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.08546 Da
Monoisotopic Mass

0.6
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.