CID 3047425

1-benzyloxy-3-cyclohexylamino-2-propanol maleate

Structural Information

Molecular Formula
C16H25NO2
SMILES
C1CCC(CC1)NCC(COCC2=CC=CC=C2)O
InChI
InChI=1S/C16H25NO2/c18-16(11-17-15-9-5-2-6-10-15)13-19-12-14-7-3-1-4-8-14/h1,3-4,7-8,15-18H,2,5-6,9-13H2
InChIKey
LCCMCZUJHRNSJL-UHFFFAOYSA-N
Compound name
1-(cyclohexylamino)-3-phenylmethoxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.18854 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.19582 163.5
[M+Na]+ 286.17776 164.4
[M-H]- 262.18126 166.8
[M+NH4]+ 281.22236 178.2
[M+K]+ 302.15170 161.2
[M+H-H2O]+ 246.18580 155.4
[M+HCOO]- 308.18674 181.8
[M+CH3COO]- 322.20239 196.3
[M+Na-2H]- 284.16321 166.2
[M]+ 263.18799 158.6
[M]- 263.18909 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

No patent data available for this compound.