CID 80933

8-(isopropyl)quinoline

Structural Information

Molecular Formula
C12H13N
SMILES
CC(C)C1=CC=CC2=C1N=CC=C2
InChI
InChI=1S/C12H13N/c1-9(2)11-7-3-5-10-6-4-8-13-12(10)11/h3-9H,1-2H3
InChIKey
FAHUZGNYQXPESZ-UHFFFAOYSA-N
Compound name
8-propan-2-ylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

817
Patents

171.1048 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.112076 136.1
[M+Na]+ 194.094018 144.4
[M-H]- 170.097524 139.3
[M+NH4]+ 189.138623 156.4
[M+K]+ 210.067958 141.3
[M+H-H2O]+ 154.102060 129.4
[M+HCOO]- 216.103001 157.3
[M+CH3COO]- 230.118651 182.5
[M+Na-2H]- 192.079466 144.2
[M]+ 171.10425142 136.1
[M]- 171.10534858 136.1
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