CID 2526140

1-[(4-bromothiophen-2-yl)methyl]-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C8H8BrN3S
SMILES
C1=C(N(N=C1)CC2=CC(=CS2)Br)N
InChI
InChI=1S/C8H8BrN3S/c9-6-3-7(13-5-6)4-12-8(10)1-2-11-12/h1-3,5H,4,10H2
InChIKey
KOFJYJNUNPWSOC-UHFFFAOYSA-N
Compound name
2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.96222 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.969496 139.0
[M+Na]+ 279.951438 154.6
[M-H]- 255.954944 147.4
[M+NH4]+ 274.996043 161.5
[M+K]+ 295.925378 142.7
[M+H-H2O]+ 239.959480 138.7
[M+HCOO]- 301.960421 159.4
[M+CH3COO]- 315.976071 155.5
[M+Na-2H]- 277.936886 142.9
[M]+ 256.96167142 160.3
[M]- 256.96276858 160.3
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

No patent data available for this compound.