CID 57416366

3-(methoxymethyl)-5h,6h,7h,8h-[1,2,4]triazolo[4,3-a]pyrazine

Structural Information

Molecular Formula
C7H12N4O
SMILES
COCC1=NN=C2N1CCNC2
InChI
InChI=1S/C7H12N4O/c1-12-5-7-10-9-6-4-8-2-3-11(6)7/h8H,2-5H2,1H3
InChIKey
UXCQCUUVOJRITH-UHFFFAOYSA-N
Compound name
3-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.1011 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.10838 136.7
[M+Na]+ 191.09032 144.8
[M-H]- 167.09382 134.1
[M+NH4]+ 186.13492 153.8
[M+K]+ 207.06426 142.4
[M+H-H2O]+ 151.09836 128.2
[M+HCOO]- 213.09930 153.0
[M+CH3COO]- 227.11495 148.2
[M+Na-2H]- 189.07577 142.9
[M]+ 168.10055 134.6
[M]- 168.10165 134.6
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.