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]+ 180.087976 135.1
[M+Na]+ 202.069918 146.8
[M-H]- 178.073424 134.2
[M+NH4]+ 197.114523 152.2
[M+K]+ 218.043858 142.7
[M+H-H2O]+ 162.077960 127.0
[M+HCOO]- 224.078901 157.1
[M+CH3COO]- 238.094551 148.2
[M+Na-2H]- 200.055366 144.4
[M]+ 179.08015142 136.4
[M]- 179.08124858 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.