CID 132143691

2155850-80-7

Structural Information

Molecular Formula
C15H15NO
SMILES
CC1=NC=CC2=C1C=CC(=C2)C#CC(C)(C)O
InChI
InChI=1S/C15H15NO/c1-11-14-5-4-12(6-8-15(2,3)17)10-13(14)7-9-16-11/h4-5,7,9-10,17H,1-3H3
InChIKey
OLFPZVLAQPKAIX-UHFFFAOYSA-N
Compound name
2-methyl-4-(1-methylisoquinolin-6-yl)but-3-yn-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

225.11537 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.12265 154.1
[M+Na]+ 248.10459 167.6
[M+NH4]+ 243.14919 158.9
[M+K]+ 264.07853 157.5
[M-H]- 224.10809 147.9
[M+Na-2H]- 246.09004 157.5
[M]+ 225.11482 153.6
[M]- 225.11592 153.6
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