CID 34176341

2551120-25-1

Structural Information

Molecular Formula
C8H12N4
SMILES
C1CC1C2=NN=C3N2CCNC3
InChI
InChI=1S/C8H12N4/c1-2-6(1)8-11-10-7-5-9-3-4-12(7)8/h6,9H,1-5H2
InChIKey
XVXXWVBIKKLTRG-UHFFFAOYSA-N
Compound name
3-cyclopropyl-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

9
Patents

164.1062 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.113476 147.5
[M+Na]+ 187.095418 157.4
[M-H]- 163.098924 148.6
[M+NH4]+ 182.140023 159.9
[M+K]+ 203.069358 152.2
[M+H-H2O]+ 147.103460 138.3
[M+HCOO]- 209.104401 163.8
[M+CH3COO]- 223.120051 158.1
[M+Na-2H]- 185.080866 152.2
[M]+ 164.10565142 145.1
[M]- 164.10674858 145.1
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