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]+ 262.02260 153.6
[M+Na]+ 284.00454 168.0
[M-H]- 260.00804 163.4
[M+NH4]+ 279.04914 171.4
[M+K]+ 299.97848 156.6
[M+H-H2O]+ 244.01258 153.2
[M+HCOO]- 306.01352 173.4
[M+CH3COO]- 320.02917 168.3
[M+Na-2H]- 281.98999 163.0
[M]+ 261.01477 174.0
[M]- 261.01587 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.