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]+ 174.091336 135.4
[M+Na]+ 196.073278 143.7
[M-H]- 172.076784 137.4
[M+NH4]+ 191.117883 154.8
[M+K]+ 212.047218 140.4
[M+H-H2O]+ 156.081320 129.0
[M+HCOO]- 218.082261 155.7
[M+CH3COO]- 232.097911 178.8
[M+Na-2H]- 194.058726 143.6
[M]+ 173.08351142 134.7
[M]- 173.08460858 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.