CID 15591

2,3-dimethylquinoline

Structural Information

Molecular Formula
C11H11N
SMILES
CC1=CC2=CC=CC=C2N=C1C
InChI
InChI=1S/C11H11N/c1-8-7-10-5-3-4-6-11(10)12-9(8)2/h3-7H,1-2H3
InChIKey
FBOFHVFMPNNIKN-UHFFFAOYSA-N
Compound name
2,3-dimethylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1583
Patents

157.08914 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.096416 130.9
[M+Na]+ 180.078358 140.9
[M-H]- 156.081864 134.6
[M+NH4]+ 175.122963 152.2
[M+K]+ 196.052298 137.6
[M+H-H2O]+ 140.086400 124.5
[M+HCOO]- 202.087341 153.5
[M+CH3COO]- 216.102991 145.3
[M+Na-2H]- 178.063806 140.1
[M]+ 157.08859142 131.6
[M]- 157.08968858 131.6
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