CID 459776

Schembl10581274

Structural Information

Molecular Formula
C10H10NO
SMILES
C[N+]1=CC2=C(C=CC(=C2)O)C=C1
InChI
InChI=1S/C10H9NO/c1-11-5-4-8-2-3-10(12)6-9(8)7-11/h2-7H,1H3/p+1
InChIKey
ZLCXGHHFCVSSRK-UHFFFAOYSA-O
Compound name
2-methylisoquinolin-2-ium-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

160.07623 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.08351 131.8
[M+Na]+ 183.06545 141.6
[M-H]- 159.06895 134.7
[M+NH4]+ 178.11005 151.9
[M+K]+ 199.03939 132.8
[M+H-H2O]+ 143.07349 128.5
[M+HCOO]- 205.07443 153.1
[M+CH3COO]- 219.09008 169.4
[M+Na-2H]- 181.05090 143.2
[M]+ 160.07568 130.6
[M]- 160.07678 130.6
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

No patent data available for this compound.