CID 641770

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

539
Patents

115.09972 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.106996 124.3
[M+Na]+ 138.088938 130.4
[M-H]- 114.092444 125.3
[M+NH4]+ 133.133543 143.7
[M+K]+ 154.062878 130.5
[M+H-H2O]+ 98.096980 118.6
[M+HCOO]- 160.097921 141.9
[M+CH3COO]- 174.113571 166.3
[M+Na-2H]- 136.074386 130.8
[M]+ 115.09917142 119.8
[M]- 115.10026858 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