CID 641770

(2s,3r)-2,3-dimethylmorpholine

Structural Information

Molecular Formula
C6H13NO
SMILES
C[C@H]1[C@@H](OCCN1)C
InChI
InChI=1S/C6H13NO/c1-5-6(2)8-4-3-7-5/h5-7H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKey
LTJFPCBECZHXNS-WDSKDSINSA-N
Compound name
(2S,3S)-2,3-dimethylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

546
Patents

115.09972 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.10700 124.3
[M+Na]+ 138.08894 130.4
[M-H]- 114.09244 125.3
[M+NH4]+ 133.13354 143.7
[M+K]+ 154.06288 130.5
[M+H-H2O]+ 98.096980 118.6
[M+HCOO]- 160.09792 141.9
[M+CH3COO]- 174.11357 166.3
[M+Na-2H]- 136.07439 130.8
[M]+ 115.09917 119.8
[M]- 115.10027 119.8
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

patents stripe