CID 87268

Propan-2-yl 2h-quinoline-1-carboxylate

Structural Information

Molecular Formula
C13H15NO2
SMILES
CC(C)OC(=O)N1CC=CC2=CC=CC=C21
InChI
InChI=1S/C13H15NO2/c1-10(2)16-13(15)14-9-5-7-11-6-3-4-8-12(11)14/h3-8,10H,9H2,1-2H3
InChIKey
XBPMXUYSYAIPTR-UHFFFAOYSA-N
Compound name
propan-2-yl 2H-quinoline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

217.11028 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.11756 148.2
[M+Na]+ 240.09950 155.1
[M-H]- 216.10300 151.1
[M+NH4]+ 235.14410 166.4
[M+K]+ 256.07344 152.9
[M+H-H2O]+ 200.10754 141.1
[M+HCOO]- 262.10848 167.3
[M+CH3COO]- 276.12413 188.5
[M+Na-2H]- 238.08495 153.5
[M]+ 217.10973 148.6
[M]- 217.11083 148.6
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