CID 87268

17718-20-6

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

53
Patents

217.11028 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.117556 148.2
[M+Na]+ 240.099498 155.1
[M-H]- 216.103004 151.1
[M+NH4]+ 235.144103 166.4
[M+K]+ 256.073438 152.9
[M+H-H2O]+ 200.107540 141.1
[M+HCOO]- 262.108481 167.3
[M+CH3COO]- 276.124131 188.5
[M+Na-2H]- 238.084946 153.5
[M]+ 217.10973142 148.6
[M]- 217.11082858 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