CID 269729

7-methoxy-3-methylisoquinoline

Structural Information

Molecular Formula
C11H11NO
SMILES
CC1=CC2=C(C=C(C=C2)OC)C=N1
InChI
InChI=1S/C11H11NO/c1-8-5-9-3-4-11(13-2)6-10(9)7-12-8/h3-7H,1-2H3
InChIKey
UIBRIYQVQCXESP-UHFFFAOYSA-N
Compound name
7-methoxy-3-methylisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

173.08406 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.091336 134.5
[M+Na]+ 196.073278 144.4
[M-H]- 172.076784 138.2
[M+NH4]+ 191.117883 155.0
[M+K]+ 212.047218 141.6
[M+H-H2O]+ 156.081320 127.8
[M+HCOO]- 218.082261 157.3
[M+CH3COO]- 232.097911 181.7
[M+Na-2H]- 194.058726 143.6
[M]+ 173.08351142 136.6
[M]- 173.08460858 136.6
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