CID 12583961

1-(morpholin-4-yl)pentane-1,4-dione

Structural Information

Molecular Formula
C9H15NO3
SMILES
CC(=O)CCC(=O)N1CCOCC1
InChI
InChI=1S/C9H15NO3/c1-8(11)2-3-9(12)10-4-6-13-7-5-10/h2-7H2,1H3
InChIKey
ZSVNDSMYLXYCHV-UHFFFAOYSA-N
Compound name
1-morpholin-4-ylpentane-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

185.1052 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.112476 141.2
[M+Na]+ 208.094418 145.7
[M-H]- 184.097924 143.0
[M+NH4]+ 203.139023 157.9
[M+K]+ 224.068358 146.6
[M+H-H2O]+ 168.102460 134.5
[M+HCOO]- 230.103401 158.3
[M+CH3COO]- 244.119051 180.4
[M+Na-2H]- 206.079866 145.0
[M]+ 185.10465142 139.6
[M]- 185.10574858 139.6
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