CID 137113

2-ethylquinoline

Structural Information

Molecular Formula
C11H11N
SMILES
CCC1=NC2=CC=CC=C2C=C1
InChI
InChI=1S/C11H11N/c1-2-10-8-7-9-5-3-4-6-11(9)12-10/h3-8H,2H2,1H3
InChIKey
XCIZVKSCLVSDHN-UHFFFAOYSA-N
Compound name
2-ethylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2010
Patents

157.08914 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.09642 131.1
[M+Na]+ 180.07836 140.2
[M-H]- 156.08186 134.5
[M+NH4]+ 175.12296 152.1
[M+K]+ 196.05230 136.8
[M+H-H2O]+ 140.08640 124.5
[M+HCOO]- 202.08734 153.7
[M+CH3COO]- 216.10299 145.1
[M+Na-2H]- 178.06381 141.0
[M]+ 157.08859 131.4
[M]- 157.08969 131.4
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