CID 132351061

2137578-36-8

Structural Information

Molecular Formula
C8H12BrN3
SMILES
C1C[C@H]([C@H](C1)N2C=C(C=N2)Br)N
InChI
InChI=1S/C8H12BrN3/c9-6-4-11-12(5-6)8-3-1-2-7(8)10/h4-5,7-8H,1-3,10H2/t7-,8+/m1/s1
InChIKey
KRNGXWKHLQZTPU-SFYZADRCSA-N
Compound name
(1R,2S)-2-(4-bromopyrazol-1-yl)cyclopentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.02145 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.02873 145.2
[M+Na]+ 252.01067 156.5
[M-H]- 228.01417 151.8
[M+NH4]+ 247.05527 167.3
[M+K]+ 267.98461 145.9
[M+H-H2O]+ 212.01871 143.7
[M+HCOO]- 274.01965 165.8
[M+CH3COO]- 288.03530 159.8
[M+Na-2H]- 249.99612 148.4
[M]+ 229.02090 159.8
[M]- 229.02200 159.8
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.