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 164.1
[M+Na]+ 286.17776 175.4
[M+NH4]+ 281.22236 172.0
[M+K]+ 302.15170 171.2
[M-H]- 262.18126 173.5
[M+Na-2H]- 284.16321 172.3
[M]+ 263.18799 169.4
[M]- 263.18909 169.4
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