CID 125458593

2248401-80-9

Structural Information

Molecular Formula
C5H9BrN4
SMILES
CCN1C(=C(N=N1)Br)CN
InChI
InChI=1S/C5H9BrN4/c1-2-10-4(3-7)5(6)8-9-10/h2-3,7H2,1H3
InChIKey
WBVQQNNTYXDBNJ-UHFFFAOYSA-N
Compound name
(5-bromo-3-ethyltriazol-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.00105 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.008326 133.3
[M+Na]+ 226.990268 146.6
[M-H]- 202.993774 136.0
[M+NH4]+ 222.034873 153.9
[M+K]+ 242.964208 135.8
[M+H-H2O]+ 186.998310 131.7
[M+HCOO]- 248.999251 154.1
[M+CH3COO]- 263.014901 184.4
[M+Na-2H]- 224.975716 140.3
[M]+ 204.00050142 151.6
[M]- 204.00159858 151.6
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.