CID 3044459

57281-41-1

Structural Information

Molecular Formula
C16H25NO2
SMILES
C1CCC(CC1)NCCC(COC2=CC=CC=C2)O
InChI
InChI=1S/C16H25NO2/c18-15(13-19-16-9-5-2-6-10-16)11-12-17-14-7-3-1-4-8-14/h2,5-6,9-10,14-15,17-18H,1,3-4,7-8,11-13H2
InChIKey
NIGXOZVCNZZCFT-UHFFFAOYSA-N
Compound name
4-(cyclohexylamino)-1-phenoxybutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 163.5
[M+Na]+ 286.177758 164.4
[M-H]- 262.181264 166.8
[M+NH4]+ 281.222363 178.2
[M+K]+ 302.151698 161.2
[M+H-H2O]+ 246.185800 155.4
[M+HCOO]- 308.186741 181.8
[M+CH3COO]- 322.202391 196.3
[M+Na-2H]- 284.163206 166.2
[M]+ 263.18799142 158.6
[M]- 263.18908858 158.6
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