CID 135742166

7-methylisoquinolin-6-ol

Structural Information

Molecular Formula
C10H9NO
SMILES
CC1=CC2=C(C=CN=C2)C=C1O
InChI
InChI=1S/C10H9NO/c1-7-4-9-6-11-3-2-8(9)5-10(7)12/h2-6,12H,1H3
InChIKey
LSQCAPPMCXLOAX-UHFFFAOYSA-N
Compound name
7-methylisoquinolin-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

159.06842 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.07570 130.8
[M+Na]+ 182.05764 146.2
[M+NH4]+ 177.10224 140.5
[M+K]+ 198.03158 138.7
[M-H]- 158.06114 133.7
[M+Na-2H]- 180.04309 139.0
[M]+ 159.06787 133.9
[M]- 159.06897 133.9
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