CID 7019313

2-(4-bromo-1h-pyrazol-1-yl)ethan-1-amine

Structural Information

Molecular Formula
C5H8BrN3
SMILES
C1=C(C=NN1CCN)Br
InChI
InChI=1S/C5H8BrN3/c6-5-3-8-9(4-5)2-1-7/h3-4H,1-2,7H2
InChIKey
UGKQCCBPFFPSHB-UHFFFAOYSA-N
Compound name
2-(4-bromopyrazol-1-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

188.99016 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.99744 130.6
[M+Na]+ 211.97938 143.1
[M-H]- 187.98288 134.3
[M+NH4]+ 207.02398 152.7
[M+K]+ 227.95332 132.5
[M+H-H2O]+ 171.98742 129.4
[M+HCOO]- 233.98836 152.6
[M+CH3COO]- 248.00401 180.7
[M+Na-2H]- 209.96483 138.3
[M]+ 188.98961 148.1
[M]- 188.99071 148.1
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

patents stripe