CID 1132907

[(2s)-3-(benzyloxy)-2-hydroxypropyl](methyl)amine

Structural Information

Molecular Formula
C11H17NO2
SMILES
CNC[C@@H](COCC1=CC=CC=C1)O
InChI
InChI=1S/C11H17NO2/c1-12-7-11(13)9-14-8-10-5-3-2-4-6-10/h2-6,11-13H,7-9H2,1H3/t11-/m0/s1
InChIKey
ADTOEVGVYLTCTB-NSHDSACASA-N
Compound name
(2S)-1-(methylamino)-3-phenylmethoxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

195.12593 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.133206 144.5
[M+Na]+ 218.115148 149.3
[M-H]- 194.118654 146.2
[M+NH4]+ 213.159753 162.7
[M+K]+ 234.089088 147.5
[M+H-H2O]+ 178.123190 138.0
[M+HCOO]- 240.124131 167.3
[M+CH3COO]- 254.139781 184.5
[M+Na-2H]- 216.100596 150.1
[M]+ 195.12538142 144.7
[M]- 195.12647858 144.7
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.