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]+ 239.150246 159.1
[M+Na]+ 261.132188 166.8
[M-H]- 237.135694 156.9
[M+NH4]+ 256.176793 173.8
[M+K]+ 277.106128 164.3
[M+H-H2O]+ 221.140230 151.3
[M+HCOO]- 283.141171 171.8
[M+CH3COO]- 297.156821 189.5
[M+Na-2H]- 259.117636 162.2
[M]+ 238.14242142 158.2
[M]- 238.14351858 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.