CID 121199881

2089258-64-8

Structural Information

Molecular Formula
C7H9N5O
SMILES
CNCC1=NN=C2N1C=CNC2=O
InChI
InChI=1S/C7H9N5O/c1-8-4-5-10-11-6-7(13)9-2-3-12(5)6/h2-3,8H,4H2,1H3,(H,9,13)
InChIKey
BTDUGVBODVUNMQ-UHFFFAOYSA-N
Compound name
3-(methylaminomethyl)-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.0807 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.08798 135.1
[M+Na]+ 202.06992 146.8
[M-H]- 178.07342 134.2
[M+NH4]+ 197.11452 152.2
[M+K]+ 218.04386 142.7
[M+H-H2O]+ 162.07796 127.0
[M+HCOO]- 224.07890 157.1
[M+CH3COO]- 238.09455 148.2
[M+Na-2H]- 200.05537 144.4
[M]+ 179.08015 136.4
[M]- 179.08125 136.4
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.