CID 162518

42464-80-2

Structural Information

Molecular Formula
C11H10N2O
SMILES
CC(=O)NC1=CC=CC2=C1C=CC=N2
InChI
InChI=1S/C11H10N2O/c1-8(14)13-11-6-2-5-10-9(11)4-3-7-12-10/h2-7H,1H3,(H,13,14)
InChIKey
JXDASSXQWMYQGN-UHFFFAOYSA-N
Compound name
N-quinolin-5-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

64
Patents

186.07932 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.086596 137.8
[M+Na]+ 209.068538 146.0
[M-H]- 185.072044 141.2
[M+NH4]+ 204.113143 157.1
[M+K]+ 225.042478 143.0
[M+H-H2O]+ 169.076580 130.8
[M+HCOO]- 231.077521 160.8
[M+CH3COO]- 245.093171 184.7
[M+Na-2H]- 207.053986 146.9
[M]+ 186.07877142 137.4
[M]- 186.07986858 137.4
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