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

23
Patents

188.99016 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.997436 130.6
[M+Na]+ 211.979378 143.1
[M-H]- 187.982884 134.3
[M+NH4]+ 207.023983 152.7
[M+K]+ 227.953318 132.5
[M+H-H2O]+ 171.987420 129.4
[M+HCOO]- 233.988361 152.6
[M+CH3COO]- 248.004011 180.7
[M+Na-2H]- 209.964826 138.3
[M]+ 188.98961142 148.1
[M]- 188.99070858 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