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]+ 257.96950 139.0
[M+Na]+ 279.95144 154.6
[M-H]- 255.95494 147.4
[M+NH4]+ 274.99604 161.5
[M+K]+ 295.92538 142.7
[M+H-H2O]+ 239.95948 138.7
[M+HCOO]- 301.96042 159.4
[M+CH3COO]- 315.97607 155.5
[M+Na-2H]- 277.93689 142.9
[M]+ 256.96167 160.3
[M]- 256.96277 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.