CID 20063803

127958-60-5

Structural Information

Molecular Formula
C7H13NO2
SMILES
CC(C)C1COCC(=O)N1
InChI
InChI=1S/C7H13NO2/c1-5(2)6-3-10-4-7(9)8-6/h5-6H,3-4H2,1-2H3,(H,8,9)
InChIKey
DGOLJYXTOMTIEE-UHFFFAOYSA-N
Compound name
5-propan-2-ylmorpholin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

143.09464 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.10192 130.7
[M+Na]+ 166.08386 136.5
[M-H]- 142.08736 131.7
[M+NH4]+ 161.12846 148.8
[M+K]+ 182.05780 136.6
[M+H-H2O]+ 126.09190 124.9
[M+HCOO]- 188.09284 147.5
[M+CH3COO]- 202.10849 171.5
[M+Na-2H]- 164.06931 135.5
[M]+ 143.09409 126.8
[M]- 143.09519 126.8
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