CID 197979

938-17-0

Structural Information

Molecular Formula
C10H10NO
SMILES
C[N+]1=CC=CC2=C1C(=CC=C2)O
InChI
InChI=1S/C10H9NO/c1-11-7-3-5-8-4-2-6-9(12)10(8)11/h2-7H,1H3/p+1
InChIKey
BOYITWKGAJWSEJ-UHFFFAOYSA-O
Compound name
1-methylquinolin-1-ium-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

51
Patents

160.07623 Da
Monoisotopic Mass

2.0
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

literature stripe

Patent stripe

patents stripe