CID 137952119

2219353-48-5

Structural Information

Molecular Formula
C7H16N2O2
SMILES
C[C@@H]1COC[C@](N1)(CN)CO
InChI
InChI=1S/C7H16N2O2/c1-6-2-11-5-7(3-8,4-10)9-6/h6,9-10H,2-5,8H2,1H3/t6-,7+/m1/s1
InChIKey
NZOIRZCGMRYDIZ-RQJHMYQMSA-N
Compound name
[(3S,5R)-3-(aminomethyl)-5-methylmorpholin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.12119 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.12847 136.4
[M+Na]+ 183.11041 141.8
[M-H]- 159.11391 135.7
[M+NH4]+ 178.15501 154.7
[M+K]+ 199.08435 140.9
[M+H-H2O]+ 143.11845 131.1
[M+HCOO]- 205.11939 152.8
[M+CH3COO]- 219.13504 172.9
[M+Na-2H]- 181.09586 142.3
[M]+ 160.12064 130.6
[M]- 160.12174 130.6
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.