CID 165456205

4-bromo-8-(1-methylcyclopropyl)quinoline

Structural Information

Molecular Formula
C13H12BrN
SMILES
CC1(CC1)C2=CC=CC3=C(C=CN=C32)Br
InChI
InChI=1S/C13H12BrN/c1-13(6-7-13)10-4-2-3-9-11(14)5-8-15-12(9)10/h2-5,8H,6-7H2,1H3
InChIKey
DGRMJUBKKSNBIW-UHFFFAOYSA-N
Compound name
4-bromo-8-(1-methylcyclopropyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.01532 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.022596 153.6
[M+Na]+ 284.004538 168.0
[M-H]- 260.008044 163.4
[M+NH4]+ 279.049143 171.4
[M+K]+ 299.978478 156.6
[M+H-H2O]+ 244.012580 153.2
[M+HCOO]- 306.013521 173.4
[M+CH3COO]- 320.029171 168.3
[M+Na-2H]- 281.989986 163.0
[M]+ 261.01477142 174.0
[M]- 261.01586858 174.0
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.