CID 209606

1-(isopropylamino)-3-((2-methoxy-p-tolyl)oxy)-2-propanol hydrochloride

Structural Information

Molecular Formula
C14H23NO3
SMILES
CC1=CC(=C(C=C1)OCC(CNC(C)C)O)OC
InChI
InChI=1S/C14H23NO3/c1-10(2)15-8-12(16)9-18-13-6-5-11(3)7-14(13)17-4/h5-7,10,12,15-16H,8-9H2,1-4H3
InChIKey
JANHSWMTYIKAJI-UHFFFAOYSA-N
Compound name
1-(2-methoxy-4-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.1678 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.17508 161.1
[M+Na]+ 276.15702 166.2
[M-H]- 252.16052 163.0
[M+NH4]+ 271.20162 177.4
[M+K]+ 292.13096 164.8
[M+H-H2O]+ 236.16506 154.4
[M+HCOO]- 298.16600 182.1
[M+CH3COO]- 312.18165 198.9
[M+Na-2H]- 274.14247 162.4
[M]+ 253.16725 163.9
[M]- 253.16835 163.9
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.