CID 3064066

O-(2-(isobutylamino)propyl)phenol hydrochloride

Structural Information

Molecular Formula
C13H21NO
SMILES
CC(C)CNC(C)CC1=CC=CC=C1O
InChI
InChI=1S/C13H21NO/c1-10(2)9-14-11(3)8-12-6-4-5-7-13(12)15/h4-7,10-11,14-15H,8-9H2,1-3H3
InChIKey
UCCDVOHDJLQKEM-UHFFFAOYSA-N
Compound name
2-[2-(2-methylpropylamino)propyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.16231 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.169586 150.9
[M+Na]+ 230.151528 155.7
[M-H]- 206.155034 152.7
[M+NH4]+ 225.196133 168.9
[M+K]+ 246.125468 153.3
[M+H-H2O]+ 190.159570 144.6
[M+HCOO]- 252.160511 171.8
[M+CH3COO]- 266.176161 190.5
[M+Na-2H]- 228.136976 153.4
[M]+ 207.16176142 150.1
[M]- 207.16285858 150.1
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.