CID 83382773

2445792-01-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.9745 Da
Monoisotopic Mass

0.6
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

No literature data available for this compound.

Patent stripe

patents stripe