CID 45088313

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

Structural Information

Molecular Formula
C7H12N4
SMILES
CCC1=NN=C2N1CCNC2
InChI
InChI=1S/C7H12N4/c1-2-6-9-10-7-5-8-3-4-11(6)7/h8H,2-5H2,1H3
InChIKey
KYAGGLONXREQED-UHFFFAOYSA-N
Compound name
3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

49
Patents

152.1062 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.11348 134.0
[M+Na]+ 175.09542 142.3
[M-H]- 151.09892 131.4
[M+NH4]+ 170.14002 151.9
[M+K]+ 191.06936 139.4
[M+H-H2O]+ 135.10346 125.6
[M+HCOO]- 197.10440 150.2
[M+CH3COO]- 211.12005 145.6
[M+Na-2H]- 173.08087 140.2
[M]+ 152.10565 130.5
[M]- 152.10675 130.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe