CID 177799178

2923840-83-7

Structural Information

Molecular Formula
C6H9BrN4
SMILES
CN1CCCN2C1=C(N=N2)Br
InChI
InChI=1S/C6H9BrN4/c1-10-3-2-4-11-6(10)5(7)8-9-11/h2-4H2,1H3
InChIKey
JSIRYRDDXXTFJH-UHFFFAOYSA-N
Compound name
3-bromo-4-methyl-6,7-dihydro-5H-triazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.00105 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.008326 137.5
[M+Na]+ 238.990268 150.8
[M-H]- 214.993774 139.8
[M+NH4]+ 234.034873 157.7
[M+K]+ 254.964208 140.5
[M+H-H2O]+ 198.998310 136.3
[M+HCOO]- 260.999251 153.8
[M+CH3COO]- 275.014901 152.0
[M+Na-2H]- 236.975716 145.2
[M]+ 216.00050142 154.7
[M]- 216.00159858 154.7
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.