CID 7138

2,7-dimethylquinoline

Structural Information

Molecular Formula
C11H11N
SMILES
CC1=CC2=C(C=C1)C=CC(=N2)C
InChI
InChI=1S/C11H11N/c1-8-3-5-10-6-4-9(2)12-11(10)7-8/h3-7H,1-2H3
InChIKey
QXKPLNCZSFACPU-UHFFFAOYSA-N
Compound name
2,7-dimethylquinoline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

356
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 131.4
[M+Na]+ 180.07836 147.7
[M+NH4]+ 175.12296 142.0
[M+K]+ 196.05230 139.2
[M-H]- 156.08186 135.4
[M+Na-2H]- 178.06381 140.6
[M]+ 157.08859 135.1
[M]- 157.08969 135.1
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