CID 91662912

1803562-70-0

Structural Information

Molecular Formula
C10H16N4O3
SMILES
CC(C)(C)OC(=O)C1CN2C(=NNC2=O)CN1
InChI
InChI=1S/C10H16N4O3/c1-10(2,3)17-8(15)6-5-14-7(4-11-6)12-13-9(14)16/h6,11H,4-5H2,1-3H3,(H,13,16)
InChIKey
JJLUTYMMLXORPG-UHFFFAOYSA-N
Compound name
tert-butyl 3-oxo-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.12224 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.12952 157.2
[M+Na]+ 263.11146 165.0
[M-H]- 239.11496 153.8
[M+NH4]+ 258.15606 171.0
[M+K]+ 279.08540 161.9
[M+H-H2O]+ 223.11950 149.9
[M+HCOO]- 285.12044 169.2
[M+CH3COO]- 299.13609 185.5
[M+Na-2H]- 261.09691 160.5
[M]+ 240.12169 154.9
[M]- 240.12279 154.9
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.