CID 122164338

[3-(aminomethyl)-4-benzylmorpholin-3-yl]methanol

Structural Information

Molecular Formula
C13H20N2O2
SMILES
C1COCC(N1CC2=CC=CC=C2)(CN)CO
InChI
InChI=1S/C13H20N2O2/c14-9-13(10-16)11-17-7-6-15(13)8-12-4-2-1-3-5-12/h1-5,16H,6-11,14H2
InChIKey
PQUJOONPSXZWHO-UHFFFAOYSA-N
Compound name
[3-(aminomethyl)-4-benzylmorpholin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.15248 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.159756 155.6
[M+Na]+ 259.141698 160.2
[M-H]- 235.145204 158.9
[M+NH4]+ 254.186303 171.0
[M+K]+ 275.115638 158.1
[M+H-H2O]+ 219.149740 147.8
[M+HCOO]- 281.150681 173.1
[M+CH3COO]- 295.166331 189.2
[M+Na-2H]- 257.127146 161.3
[M]+ 236.15193142 151.2
[M]- 236.15302858 151.2
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

No patent data available for this compound.