CID 99738

4-quinolinol, 1,2,3,4-tetrahydro-1,3,3-trimethyl-

Structural Information

Molecular Formula
C12H17NO
SMILES
CC1(CN(C2=CC=CC=C2C1O)C)C
InChI
InChI=1S/C12H17NO/c1-12(2)8-13(3)10-7-5-4-6-9(10)11(12)14/h4-7,11,14H,8H2,1-3H3
InChIKey
JECPRVKVRNBKAW-UHFFFAOYSA-N
Compound name
1,3,3-trimethyl-2,4-dihydroquinolin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.13101 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.138286 142.4
[M+Na]+ 214.120228 151.3
[M-H]- 190.123734 144.6
[M+NH4]+ 209.164833 163.8
[M+K]+ 230.094168 148.1
[M+H-H2O]+ 174.128270 136.7
[M+HCOO]- 236.129211 160.4
[M+CH3COO]- 250.144861 183.5
[M+Na-2H]- 212.105676 148.8
[M]+ 191.13046142 140.8
[M]- 191.13155858 140.8
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.