CID 213938

27325-20-8

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

263.18854 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.19582 159.0
[M+Na]+ 286.17776 165.1
[M-H]- 262.18126 164.7
[M+NH4]+ 281.22236 170.3
[M+K]+ 302.15170 161.6
[M+H-H2O]+ 246.18580 152.3
[M+HCOO]- 308.18674 179.4
[M+CH3COO]- 322.20239 201.4
[M+Na-2H]- 284.16321 163.2
[M]+ 263.18799 162.2
[M]- 263.18909 162.2
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

patents stripe