CID 13977703

3,6-dimethylisoquinoline

Structural Information

Molecular Formula
C11H11N
SMILES
CC1=CC2=C(C=C1)C=NC(=C2)C
InChI
InChI=1S/C11H11N/c1-8-3-4-10-7-12-9(2)6-11(10)5-8/h3-7H,1-2H3
InChIKey
OUSUBDOSELFGLT-UHFFFAOYSA-N
Compound name
3,6-dimethylisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
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

No literature data available for this compound.

Patent stripe

patents stripe