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]+ 264.19582 162.5
[M+Na]+ 286.17776 173.7
[M+NH4]+ 281.22236 170.5
[M+K]+ 302.15170 169.2
[M-H]- 262.18126 172.2
[M+Na-2H]- 284.16321 170.5
[M]+ 263.18799 167.8
[M]- 263.18909 167.8
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.