CID 91662808

1803570-14-0

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 155.7
[M+Na]+ 261.13219 165.0
[M+NH4]+ 256.17679 161.0
[M+K]+ 277.10613 163.5
[M-H]- 237.13569 153.0
[M+Na-2H]- 259.11764 157.4
[M]+ 238.14242 155.9
[M]- 238.14352 155.9
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.