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

2
Patents

174.9745 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.98178 126.0
[M+Na]+ 197.96372 139.7
[M-H]- 173.96722 130.2
[M+NH4]+ 193.00832 148.9
[M+K]+ 213.93766 129.3
[M+H-H2O]+ 157.97176 125.3
[M+HCOO]- 219.97270 148.3
[M+CH3COO]- 233.98835 178.9
[M+Na-2H]- 195.94917 133.5
[M]+ 174.97395 143.4
[M]- 174.97505 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