CID 94831084

(1s)-1-(isoquinolin-5-yl)ethan-1-ol

Structural Information

Molecular Formula
C11H11NO
SMILES
C[C@@H](C1=CC=CC2=C1C=CN=C2)O
InChI
InChI=1S/C11H11NO/c1-8(13)10-4-2-3-9-7-12-6-5-11(9)10/h2-8,13H,1H3/t8-/m0/s1
InChIKey
SZJPIBMCTCQMAE-QMMMGPOBSA-N
Compound name
(1S)-1-isoquinolin-5-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.08406 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.09134 135.4
[M+Na]+ 196.07328 143.7
[M-H]- 172.07678 137.4
[M+NH4]+ 191.11788 154.8
[M+K]+ 212.04722 140.4
[M+H-H2O]+ 156.08132 129.0
[M+HCOO]- 218.08226 155.7
[M+CH3COO]- 232.09791 178.8
[M+Na-2H]- 194.05873 143.6
[M]+ 173.08351 134.7
[M]- 173.08461 134.7
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

No patent data available for this compound.