CID 204508

Phenol, 3-(1,1-dimethyl-3-(dimethylamino)propyl)-, hydrochloride

Structural Information

Molecular Formula
C13H21NO
SMILES
CC(C)(CCN(C)C)C1=CC(=CC=C1)O
InChI
InChI=1S/C13H21NO/c1-13(2,8-9-14(3)4)11-6-5-7-12(15)10-11/h5-7,10,15H,8-9H2,1-4H3
InChIKey
WDGQBDUIIFJUOG-UHFFFAOYSA-N
Compound name
3-[4-(dimethylamino)-2-methylbutan-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.16231 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.169586 149.4
[M+Na]+ 230.151528 155.4
[M-H]- 206.155034 153.0
[M+NH4]+ 225.196133 168.5
[M+K]+ 246.125468 154.0
[M+H-H2O]+ 190.159570 143.6
[M+HCOO]- 252.160511 171.4
[M+CH3COO]- 266.176161 192.6
[M+Na-2H]- 228.136976 154.6
[M]+ 207.16176142 150.8
[M]- 207.16285858 150.8
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.