CID 145913538

2377031-09-7

Structural Information

Molecular Formula
C4H7BrN4
SMILES
C1=NN(N=C1Br)CCN
InChI
InChI=1S/C4H7BrN4/c5-4-3-7-9(8-4)2-1-6/h3H,1-2,6H2
InChIKey
VJSYZEANTXBHGW-UHFFFAOYSA-N
Compound name
2-(4-bromotriazol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.98541 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.99269 128.7
[M+Na]+ 212.97463 141.5
[M-H]- 188.97813 131.2
[M+NH4]+ 208.01923 149.5
[M+K]+ 228.94857 131.1
[M+H-H2O]+ 172.98267 127.0
[M+HCOO]- 234.98361 149.8
[M+CH3COO]- 248.99926 180.6
[M+Na-2H]- 210.96008 136.9
[M]+ 189.98486 146.3
[M]- 189.98596 146.3
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.