CID 13248992

2247104-09-0

Structural Information

Molecular Formula
C4H6BrN3
SMILES
CN1C(=CC(=N1)N)Br
InChI
InChI=1S/C4H6BrN3/c1-8-3(5)2-4(6)7-8/h2H,1H3,(H2,6,7)
InChIKey
UJJBZKBDWUAWKA-UHFFFAOYSA-N
Compound name
5-bromo-1-methylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

174.9745 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.981776 126.0
[M+Na]+ 197.963718 139.7
[M-H]- 173.967224 130.2
[M+NH4]+ 193.008323 148.9
[M+K]+ 213.937658 129.3
[M+H-H2O]+ 157.971760 125.3
[M+HCOO]- 219.972701 148.3
[M+CH3COO]- 233.988351 178.9
[M+Na-2H]- 195.949166 133.5
[M]+ 174.97395142 143.4
[M]- 174.97504858 143.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe