CID 57416366

1159553-52-2

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 136.5
[M+Na]+ 191.09032 147.4
[M+NH4]+ 186.13492 143.6
[M+K]+ 207.06426 144.0
[M-H]- 167.09382 135.4
[M+Na-2H]- 189.07577 140.3
[M]+ 168.10055 137.4
[M]- 168.10165 137.4
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.