CID 210928

21925-70-2

Structural Information

Molecular Formula

C₁₂H₁₈ClNO₂

SMILES

CC(C)NCC(COC1=CC=CC=C1Cl)O

InChI

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

InChIKey

UXPPUNYWLDXKEG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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	154.8
[M+Na]+	266.09182	160.8
[M-H]-	242.09532	156.7
[M+NH4]+	261.13642	172.3
[M+K]+	282.06576	157.2
[M+H-H2O]+	226.09986	149.5
[M+HCOO]-	288.10080	171.9
[M+CH3COO]-	302.11645	193.3
[M+Na-2H]-	264.07727	157.6
[M]+	243.10205	157.3
[M]-	243.10315	157.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe