CID 3021107

3,3,6,6-tetramethylmorpholine-2,5-dione

Structural Information

Molecular Formula
C8H13NO3
SMILES
CC1(C(=O)NC(C(=O)O1)(C)C)C
InChI
InChI=1S/C8H13NO3/c1-7(2)6(11)12-8(3,4)5(10)9-7/h1-4H3,(H,9,10)
InChIKey
ABRBACLJPUACFC-UHFFFAOYSA-N
Compound name
3,3,6,6-tetramethylmorpholine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.08954 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.096816 130.7
[M+Na]+ 194.078758 140.3
[M-H]- 170.082264 133.1
[M+NH4]+ 189.123363 152.4
[M+K]+ 210.052698 140.3
[M+H-H2O]+ 154.086800 127.2
[M+HCOO]- 216.087741 148.6
[M+CH3COO]- 230.103391 176.7
[M+Na-2H]- 192.064206 137.9
[M]+ 171.08899142 130.3
[M]- 171.09008858 130.3
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

No patent data available for this compound.