CID 12394018

2,3,6-trimethylmorpholine

Structural Information

Molecular Formula
C7H15NO
SMILES
CC1CNC(C(O1)C)C
InChI
InChI=1S/C7H15NO/c1-5-4-8-6(2)7(3)9-5/h5-8H,4H2,1-3H3
InChIKey
MJGLVABJZDPYDJ-UHFFFAOYSA-N
Compound name
2,3,6-trimethylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

129.11537 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.122646 128.6
[M+Na]+ 152.104588 135.3
[M-H]- 128.108094 129.9
[M+NH4]+ 147.149193 147.8
[M+K]+ 168.078528 135.1
[M+H-H2O]+ 112.112630 123.1
[M+HCOO]- 174.113571 145.9
[M+CH3COO]- 188.129221 170.5
[M+Na-2H]- 150.090036 133.9
[M]+ 129.11482142 124.9
[M]- 129.11591858 124.9
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