CID 91662808

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

Structural Information

Molecular Formula
C11H18N4O2
SMILES
CC1=NN=C2N1CC(NC2)C(=O)OC(C)(C)C
InChI
InChI=1S/C11H18N4O2/c1-7-13-14-9-5-12-8(6-15(7)9)10(16)17-11(2,3)4/h8,12H,5-6H2,1-4H3
InChIKey
CJPJLOYXBZBRPF-UHFFFAOYSA-N
Compound name
tert-butyl 3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.14297 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.15025 159.1
[M+Na]+ 261.13219 166.8
[M-H]- 237.13569 156.9
[M+NH4]+ 256.17679 173.8
[M+K]+ 277.10613 164.3
[M+H-H2O]+ 221.14023 151.3
[M+HCOO]- 283.14117 171.8
[M+CH3COO]- 297.15682 189.5
[M+Na-2H]- 259.11764 162.2
[M]+ 238.14242 158.2
[M]- 238.14352 158.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.