CID 95477

1,2,3,4-tetrahydrobenzo[h]quinolin-3-ol

Structural Information

Molecular Formula
C13H13NO
SMILES
C1C(CNC2=C1C=CC3=CC=CC=C32)O
InChI
InChI=1S/C13H13NO/c15-11-7-10-6-5-9-3-1-2-4-12(9)13(10)14-8-11/h1-6,11,14-15H,7-8H2
InChIKey
WKJMQLMWPMZUQH-UHFFFAOYSA-N
Compound name
1,2,3,4-tetrahydrobenzo[h]quinolin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

115
Patents

199.09972 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.106996 141.5
[M+Na]+ 222.088938 149.0
[M-H]- 198.092444 142.6
[M+NH4]+ 217.133543 160.2
[M+K]+ 238.062878 143.5
[M+H-H2O]+ 182.096980 134.9
[M+HCOO]- 244.097921 157.5
[M+CH3COO]- 258.113571 153.0
[M+Na-2H]- 220.074386 149.8
[M]+ 199.09917142 136.6
[M]- 199.10026858 136.6
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