CID 5146618

22001-40-7

Structural Information

Molecular Formula

C₁₃H₁₄N₂O₂

SMILES

CC(C)NC(=O)OC1=CC=CC2=C1N=CC=C2

InChI

InChI=1S/C13H14N2O2/c1-9(2)15-13(16)17-11-7-3-5-10-6-4-8-14-12(10)11/h3-9H,1-2H3,(H,15,16)

InChIKey

MYZZZDHUCNJZNM-UHFFFAOYSA-N

Compound name

quinolin-8-yl N-propan-2-ylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 230.10553 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	231.112806	150.8
[M+Na]+	253.094748	157.8
[M-H]-	229.098254	153.9
[M+NH4]+	248.139353	168.2
[M+K]+	269.068688	155.4
[M+H-H2O]+	213.102790	143.3
[M+HCOO]-	275.103731	172.4
[M+CH3COO]-	289.119381	193.1
[M+Na-2H]-	251.080196	157.6
[M]+	230.10498142	151.9
[M]-	230.10607858	151.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe