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

Adduct m/z Predicted CCS (Ų)
[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
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.