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]+ 237.15976 155.6
[M+Na]+ 259.14170 160.2
[M-H]- 235.14520 158.9
[M+NH4]+ 254.18630 171.0
[M+K]+ 275.11564 158.1
[M+H-H2O]+ 219.14974 147.8
[M+HCOO]- 281.15068 173.1
[M+CH3COO]- 295.16633 189.2
[M+Na-2H]- 257.12715 161.3
[M]+ 236.15193 151.2
[M]- 236.15303 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.