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]+ 207.160426 149.9
[M+Na]+ 229.142368 156.4
[M-H]- 205.145874 150.3
[M+NH4]+ 224.186973 167.1
[M+K]+ 245.116308 152.7
[M+H-H2O]+ 189.150410 140.6
[M+HCOO]- 251.151351 164.1
[M+CH3COO]- 265.167001 160.2
[M+Na-2H]- 227.127816 150.3
[M]+ 206.15260142 143.7
[M]- 206.15369858 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.