CID 213936

2-propanol, 1-(sec-butylamino)-3-(o-cyclopropylphenoxy)-, hydrochloride

Structural Information

Molecular Formula
C16H25NO2
SMILES
CCC(C)NCC(COC1=CC=CC=C1C2CC2)O
InChI
InChI=1S/C16H25NO2/c1-3-12(2)17-10-14(18)11-19-16-7-5-4-6-15(16)13-8-9-13/h4-7,12-14,17-18H,3,8-11H2,1-2H3
InChIKey
OAJYBIINOLMMJY-UHFFFAOYSA-N
Compound name
1-(butan-2-ylamino)-3-(2-cyclopropylphenoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.18854 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.195816 158.8
[M+Na]+ 286.177758 164.2
[M-H]- 262.181264 164.2
[M+NH4]+ 281.222363 169.8
[M+K]+ 302.151698 160.6
[M+H-H2O]+ 246.185800 151.5
[M+HCOO]- 308.186741 179.8
[M+CH3COO]- 322.202391 202.5
[M+Na-2H]- 284.163206 161.1
[M]+ 263.18799142 161.9
[M]- 263.18908858 161.9
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.