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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.