CID 23843

Deterenol

Structural Information

Molecular Formula

C₁₁H₁₇NO₂

SMILES

CC(C)NCC(C1=CC=C(C=C1)O)O

InChI

InChI=1S/C11H17NO2/c1-8(2)12-7-11(14)9-3-5-10(13)6-4-9/h3-6,8,11-14H,7H2,1-2H3

InChIKey

MPCPSVWSWKWJLO-UHFFFAOYSA-N

Compound name

4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 12
References: 552
Patents: 195.12593 Da
Monoisotopic Mass: 0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	196.13321	144.9
[M+Na]+	218.11515	154.8
[M+NH4]+	213.15975	152.1
[M+K]+	234.08909	150.1
[M-H]-	194.11865	146.0
[M+Na-2H]-	216.10060	149.7
[M]+	195.12538	146.3
[M]-	195.12648	146.3

Literature stripe

literature stripe

Patent stripe

patents stripe