CID 20589

2-ethyl-5-hydroxyisoquinolinium, bromide

Structural Information

Molecular Formula
C11H12NO
SMILES
CC[N+]1=CC2=C(C=C1)C(=CC=C2)O
InChI
InChI=1S/C11H11NO/c1-2-12-7-6-10-9(8-12)4-3-5-11(10)13/h3-8H,2H2,1H3/p+1
InChIKey
KBDXAKIUXPGECS-UHFFFAOYSA-O
Compound name
2-ethylisoquinolin-2-ium-5-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

174.09189 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.09917 133.3
[M+Na]+ 197.08111 150.6
[M+NH4]+ 192.12571 144.1
[M+K]+ 213.05505 143.5
[M-H]- 173.08461 138.0
[M+Na-2H]- 195.06656 142.5
[M]+ 174.09134 137.6
[M]- 174.09244 137.6
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