CID 74004

Quinoline, (1-methylethyl)-

Structural Information

Molecular Formula
C12H13N
SMILES
CC(C)C1=CC=NC2=CC=CC=C12
InChI
InChI=1S/C12H13N/c1-9(2)10-7-8-13-12-6-4-3-5-11(10)12/h3-9H,1-2H3
InChIKey
HFYWOOUKPVJGBA-UHFFFAOYSA-N
Compound name
4-propan-2-ylquinoline
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

1010
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

No literature data available for this compound.

Patent stripe

patents stripe