CID 74166

2-propylquinoline

Structural Information

Molecular Formula
C12H13N
SMILES
CCCC1=NC2=CC=CC=C2C=C1
InChI
InChI=1S/C12H13N/c1-2-5-11-9-8-10-6-3-4-7-12(10)13-11/h3-4,6-9H,2,5H2,1H3
InChIKey
IZXJPGLOYYDHRM-UHFFFAOYSA-N
Compound name
2-propylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

891
Patents

171.1048 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.11208 135.8
[M+Na]+ 194.09402 144.5
[M-H]- 170.09752 139.0
[M+NH4]+ 189.13862 156.2
[M+K]+ 210.06796 140.9
[M+H-H2O]+ 154.10206 129.0
[M+HCOO]- 216.10300 158.1
[M+CH3COO]- 230.11865 149.4
[M+Na-2H]- 192.07947 145.2
[M]+ 171.10425 136.5
[M]- 171.10535 136.5
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