CID 17091

3,4-dimethylquinoline

Structural Information

Molecular Formula
C11H11N
SMILES
CC1=C(C2=CC=CC=C2N=C1)C
InChI
InChI=1S/C11H11N/c1-8-7-12-11-6-4-3-5-10(11)9(8)2/h3-7H,1-2H3
InChIKey
QOSYOGXDDHFINM-UHFFFAOYSA-N
Compound name
3,4-dimethylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

249
Patents

157.08914 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.09642 130.9
[M+Na]+ 180.07836 140.9
[M-H]- 156.08186 134.6
[M+NH4]+ 175.12296 152.2
[M+K]+ 196.05230 137.6
[M+H-H2O]+ 140.08640 124.5
[M+HCOO]- 202.08734 153.5
[M+CH3COO]- 216.10299 145.3
[M+Na-2H]- 178.06381 140.1
[M]+ 157.08859 131.6
[M]- 157.08969 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