CID 459989

2-cyclopropyl-4-methylquinoline

Structural Information

Molecular Formula
C13H13N
SMILES
CC1=CC(=NC2=CC=CC=C12)C3CC3
InChI
InChI=1S/C13H13N/c1-9-8-13(10-6-7-10)14-12-5-3-2-4-11(9)12/h2-5,8,10H,6-7H2,1H3
InChIKey
LXHXKQVMXKRVFC-UHFFFAOYSA-N
Compound name
2-cyclopropyl-4-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

183.1048 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.11208 141.4
[M+Na]+ 206.09402 152.3
[M-H]- 182.09752 148.5
[M+NH4]+ 201.13862 156.5
[M+K]+ 222.06796 147.8
[M+H-H2O]+ 166.10206 133.7
[M+HCOO]- 228.10300 163.8
[M+CH3COO]- 242.11865 154.7
[M+Na-2H]- 204.07947 149.3
[M]+ 183.10425 143.5
[M]- 183.10535 143.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe