CID 504071

2-isopropyl-4-methylquinoline

Structural Information

Molecular Formula
C13H15N
SMILES
CC1=CC(=NC2=CC=CC=C12)C(C)C
InChI
InChI=1S/C13H15N/c1-9(2)13-8-10(3)11-6-4-5-7-12(11)14-13/h4-9H,1-3H3
InChIKey
AHWBOYAJOJOTJP-UHFFFAOYSA-N
Compound name
4-methyl-2-propan-2-ylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

24
Patents

185.12045 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.12773 140.5
[M+Na]+ 208.10967 149.3
[M-H]- 184.11317 143.9
[M+NH4]+ 203.15427 160.5
[M+K]+ 224.08361 146.0
[M+H-H2O]+ 168.11771 133.8
[M+HCOO]- 230.11865 161.3
[M+CH3COO]- 244.13430 186.6
[M+Na-2H]- 206.09512 147.3
[M]+ 185.11990 141.2
[M]- 185.12100 141.2
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