CID 15225763

(5s)-5-(2-methylpropyl)morpholin-3-one

Structural Information

Molecular Formula
C8H15NO2
SMILES
CC(C)C[C@H]1COCC(=O)N1
InChI
InChI=1S/C8H15NO2/c1-6(2)3-7-4-11-5-8(10)9-7/h6-7H,3-5H2,1-2H3,(H,9,10)/t7-/m0/s1
InChIKey
DEWNYTYFDBHKCT-ZETCQYMHSA-N
Compound name
(5S)-5-(2-methylpropyl)morpholin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

157.11028 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.11756 135.4
[M+Na]+ 180.09950 140.7
[M-H]- 156.10300 136.2
[M+NH4]+ 175.14410 152.9
[M+K]+ 196.07344 140.5
[M+H-H2O]+ 140.10754 129.3
[M+HCOO]- 202.10848 151.8
[M+CH3COO]- 216.12413 174.5
[M+Na-2H]- 178.08495 139.6
[M]+ 157.10973 131.8
[M]- 157.11083 131.8
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