CID 61036420

4-(4-bromo-1h-pyrazol-1-yl)butan-1-amine

Structural Information

Molecular Formula
C7H12BrN3
SMILES
C1=C(C=NN1CCCCN)Br
InChI
InChI=1S/C7H12BrN3/c8-7-5-10-11(6-7)4-2-1-3-9/h5-6H,1-4,9H2
InChIKey
KUYDUMJRJZQDSS-UHFFFAOYSA-N
Compound name
4-(4-bromopyrazol-1-yl)butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.02145 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.02873 139.7
[M+Na]+ 240.01067 151.3
[M-H]- 216.01417 143.0
[M+NH4]+ 235.05527 160.7
[M+K]+ 255.98461 140.2
[M+H-H2O]+ 200.01871 138.1
[M+HCOO]- 262.01965 161.0
[M+CH3COO]- 276.03530 186.3
[M+Na-2H]- 237.99612 146.3
[M]+ 217.02090 157.8
[M]- 217.02200 157.8
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.