CID 8862

3,5-dimethylmorpholine

Structural Information

Molecular Formula
C6H13NO
SMILES
CC1COCC(N1)C
InChI
InChI=1S/C6H13NO/c1-5-3-8-4-6(2)7-5/h5-7H,3-4H2,1-2H3
InChIKey
MDKHWJFKHDRFFZ-UHFFFAOYSA-N
Compound name
3,5-dimethylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1544
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

literature stripe

Patent stripe

patents stripe