CID 84771671

2138518-30-4

Structural Information

Molecular Formula
C4H7BrN4
SMILES
CN1C(=C(N=N1)Br)CN
InChI
InChI=1S/C4H7BrN4/c1-9-3(2-6)4(5)7-8-9/h2,6H2,1H3
InChIKey
NAVFVAARPWYCRK-UHFFFAOYSA-N
Compound name
(5-bromo-3-methyltriazol-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.98541 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.99269 128.8
[M+Na]+ 212.97463 142.6
[M-H]- 188.97813 131.7
[M+NH4]+ 208.01923 149.9
[M+K]+ 228.94857 132.0
[M+H-H2O]+ 172.98267 127.4
[M+HCOO]- 234.98361 150.0
[M+CH3COO]- 248.99926 181.6
[M+Na-2H]- 210.96008 136.4
[M]+ 189.98486 146.8
[M]- 189.98596 146.8
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.