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]+ 205.00833 133.3
[M+Na]+ 226.99027 146.6
[M-H]- 202.99377 136.0
[M+NH4]+ 222.03487 153.9
[M+K]+ 242.96421 135.8
[M+H-H2O]+ 186.99831 131.7
[M+HCOO]- 248.99925 154.1
[M+CH3COO]- 263.01490 184.4
[M+Na-2H]- 224.97572 140.3
[M]+ 204.00050 151.6
[M]- 204.00160 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.