CID 3039741

Brn 1473608

Structural Information

Molecular Formula
C15H21BrN2
SMILES
CCCCN1CCCC1=NC2=CC(=C(C=C2)Br)C
InChI
InChI=1S/C15H21BrN2/c1-3-4-9-18-10-5-6-15(18)17-13-7-8-14(16)12(2)11-13/h7-8,11H,3-6,9-10H2,1-2H3
InChIKey
AJZXFXJGVMNFID-UHFFFAOYSA-N
Compound name
N-(4-bromo-3-methylphenyl)-1-butylpyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.0888 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.09608 167.9
[M+Na]+ 331.07802 177.9
[M-H]- 307.08152 176.6
[M+NH4]+ 326.12262 187.7
[M+K]+ 347.05196 165.8
[M+H-H2O]+ 291.08606 166.0
[M+HCOO]- 353.08700 188.8
[M+CH3COO]- 367.10265 206.4
[M+Na-2H]- 329.06347 170.6
[M]+ 308.08825 185.9
[M]- 308.08935 185.9
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.