CID 513389

2-isopropylquinoline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1252
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 136.1
[M+Na]+ 194.09402 144.4
[M-H]- 170.09752 139.3
[M+NH4]+ 189.13862 156.4
[M+K]+ 210.06796 141.3
[M+H-H2O]+ 154.10206 129.4
[M+HCOO]- 216.10300 157.3
[M+CH3COO]- 230.11865 182.5
[M+Na-2H]- 192.07947 144.2
[M]+ 171.10425 136.1
[M]- 171.10535 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