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]+ 161.128466 136.4
[M+Na]+ 183.110408 141.8
[M-H]- 159.113914 135.7
[M+NH4]+ 178.155013 154.7
[M+K]+ 199.084348 140.9
[M+H-H2O]+ 143.118450 131.1
[M+HCOO]- 205.119391 152.8
[M+CH3COO]- 219.135041 172.9
[M+Na-2H]- 181.095856 142.3
[M]+ 160.12064142 130.6
[M]- 160.12173858 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.