CID 10608140

Methyl 2-(quinolin-2-yl)acetate

Structural Information

Molecular Formula
C12H11NO2
SMILES
COC(=O)CC1=NC2=CC=CC=C2C=C1
InChI
InChI=1S/C12H11NO2/c1-15-12(14)8-10-7-6-9-4-2-3-5-11(9)13-10/h2-7H,8H2,1H3
InChIKey
WLCSNNDPZBIWPC-UHFFFAOYSA-N
Compound name
methyl 2-quinolin-2-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

201.07898 Da
Monoisotopic Mass

2.0
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