CID 13131203

3,3,5,5-tetramethylmorpholin-2-one

Structural Information

Molecular Formula
C8H15NO2
SMILES
CC1(COC(=O)C(N1)(C)C)C
InChI
InChI=1S/C8H15NO2/c1-7(2)5-11-6(10)8(3,4)9-7/h9H,5H2,1-4H3
InChIKey
BCBKUYDNRBNODE-UHFFFAOYSA-N
Compound name
3,3,5,5-tetramethylmorpholin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

157.11028 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.11756 130.5
[M+Na]+ 180.09950 139.0
[M-H]- 156.10300 132.6
[M+NH4]+ 175.14410 152.6
[M+K]+ 196.07344 139.1
[M+H-H2O]+ 140.10754 126.7
[M+HCOO]- 202.10848 148.1
[M+CH3COO]- 216.12413 174.2
[M+Na-2H]- 178.08495 138.1
[M]+ 157.10973 128.9
[M]- 157.11083 128.9
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