CID 62585370

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

Structural Information

Molecular Formula
C11H18N4
SMILES
CC1C2=NN=C(N2CCN1)C3CCCC3
InChI
InChI=1S/C11H18N4/c1-8-10-13-14-11(9-4-2-3-5-9)15(10)7-6-12-8/h8-9,12H,2-7H2,1H3
InChIKey
SKGNSJFJRJUZCC-UHFFFAOYSA-N
Compound name
3-cyclopentyl-8-methyl-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

206.15315 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.16043 149.9
[M+Na]+ 229.14237 156.4
[M-H]- 205.14587 150.3
[M+NH4]+ 224.18697 167.1
[M+K]+ 245.11631 152.7
[M+H-H2O]+ 189.15041 140.6
[M+HCOO]- 251.15135 164.1
[M+CH3COO]- 265.16700 160.2
[M+Na-2H]- 227.12782 150.3
[M]+ 206.15260 143.7
[M]- 206.15370 143.7
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

No patent data available for this compound.