CID 90327283

1575613-02-3

Structural Information

Molecular Formula
C10H15BrN4O2
SMILES
CC(C)(C)OC(=O)N1CCN2C(=NC(=N2)Br)C1
InChI
InChI=1S/C10H15BrN4O2/c1-10(2,3)17-9(16)14-4-5-15-7(6-14)12-8(11)13-15/h4-6H2,1-3H3
InChIKey
DYHCYQFFNXJTGI-UHFFFAOYSA-N
Compound name
tert-butyl 2-bromo-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

302.03784 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.04512 161.9
[M+Na]+ 325.02706 173.6
[M-H]- 301.03056 164.2
[M+NH4]+ 320.07166 178.8
[M+K]+ 341.00100 163.7
[M+H-H2O]+ 285.03510 160.7
[M+HCOO]- 347.03604 174.9
[M+CH3COO]- 361.05169 197.7
[M+Na-2H]- 323.01251 167.3
[M]+ 302.03729 181.1
[M]- 302.03839 181.1
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

patents stripe