CID 201299

5790-34-1

Structural Information

Molecular Formula

C₁₂H₁₈ClNO₂

SMILES

CC(C)NCC(COC1=CC=C(C=C1)Cl)O

InChI

InChI=1S/C12H18ClNO2/c1-9(2)14-7-11(15)8-16-12-5-3-10(13)4-6-12/h3-6,9,11,14-15H,7-8H2,1-2H3

InChIKey

JHNLCWKHEYGEHY-UHFFFAOYSA-N

Compound name

1-(4-chlorophenoxy)-3-(propan-2-ylamino)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 243.1026 Da
Monoisotopic Mass: 2.3
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]+	244.10988	154.3
[M+Na]+	266.09182	165.4
[M+NH4]+	261.13642	162.0
[M+K]+	282.06576	159.3
[M-H]-	242.09532	156.0
[M+Na-2H]-	264.07727	159.6
[M]+	243.10205	156.5
[M]-	243.10315	156.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe