CID 273161

Quinolin-2-ylmethyl acetate

Structural Information

Molecular Formula
C12H11NO2
SMILES
CC(=O)OCC1=NC2=CC=CC=C2C=C1
InChI
InChI=1S/C12H11NO2/c1-9(14)15-8-11-7-6-10-4-2-3-5-12(10)13-11/h2-7H,8H2,1H3
InChIKey
DNRJGKANFCXPLY-UHFFFAOYSA-N
Compound name
quinolin-2-ylmethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

201.07898 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.08626 141.9
[M+Na]+ 224.06820 150.4
[M-H]- 200.07170 145.2
[M+NH4]+ 219.11280 160.8
[M+K]+ 240.04214 147.8
[M+H-H2O]+ 184.07624 134.8
[M+HCOO]- 246.07718 163.7
[M+CH3COO]- 260.09283 184.9
[M+Na-2H]- 222.05365 149.9
[M]+ 201.07843 144.0
[M]- 201.07953 144.0
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