CID 52911275

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

Structural Information

Molecular Formula
C8H14N4
SMILES
CC(C)C1=NN=C2N1CCNC2
InChI
InChI=1S/C8H14N4/c1-6(2)8-11-10-7-5-9-3-4-12(7)8/h6,9H,3-5H2,1-2H3
InChIKey
HLVMFESFZBIMBC-UHFFFAOYSA-N
Compound name
3-propan-2-yl-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

65
Patents

166.12184 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.12912 138.9
[M+Na]+ 189.11106 146.4
[M-H]- 165.11456 136.2
[M+NH4]+ 184.15566 156.2
[M+K]+ 205.08500 143.7
[M+H-H2O]+ 149.11910 130.5
[M+HCOO]- 211.12004 153.7
[M+CH3COO]- 225.13569 149.9
[M+Na-2H]- 187.09651 143.3
[M]+ 166.12129 135.1
[M]- 166.12239 135.1
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