CID 54595172

4-[2-(4-bromo-1h-pyrazol-1-yl)ethyl]aniline

Structural Information

Molecular Formula
C11H12BrN3
SMILES
C1=CC(=CC=C1CCN2C=C(C=N2)Br)N
InChI
InChI=1S/C11H12BrN3/c12-10-7-14-15(8-10)6-5-9-1-3-11(13)4-2-9/h1-4,7-8H,5-6,13H2
InChIKey
KVGPLPZKUQWGTC-UHFFFAOYSA-N
Compound name
4-[2-(4-bromopyrazol-1-yl)ethyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.02145 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.02873 151.0
[M+Na]+ 288.01067 162.8
[M-H]- 264.01417 157.6
[M+NH4]+ 283.05527 170.1
[M+K]+ 303.98461 150.6
[M+H-H2O]+ 248.01871 149.0
[M+HCOO]- 310.01965 172.6
[M+CH3COO]- 324.03530 165.3
[M+Na-2H]- 285.99612 157.1
[M]+ 265.02090 168.7
[M]- 265.02200 168.7
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.