CID 2840793

5790-46-5

Structural Information

Molecular Formula
C13H21NO2
SMILES
CC1=CC=C(C=C1)OCC(CNC(C)C)O
InChI
InChI=1S/C13H21NO2/c1-10(2)14-8-12(15)9-16-13-6-4-11(3)5-7-13/h4-7,10,12,14-15H,8-9H2,1-3H3
InChIKey
MJXGIIVJTPVZCW-UHFFFAOYSA-N
Compound name
1-(4-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

11
Patents

223.15723 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.16451 153.4
[M+Na]+ 246.14645 163.5
[M+NH4]+ 241.19105 160.7
[M+K]+ 262.12039 158.0
[M-H]- 222.14995 155.0
[M+Na-2H]- 244.13190 158.3
[M]+ 223.15668 155.1
[M]- 223.15778 155.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe