CID 200760

Morpholine, 4-(2-propylvaleryl)-

Structural Information

Molecular Formula
C12H23NO2
SMILES
CCCC(CCC)C(=O)N1CCOCC1
InChI
InChI=1S/C12H23NO2/c1-3-5-11(6-4-2)12(14)13-7-9-15-10-8-13/h11H,3-10H2,1-2H3
InChIKey
WYVZWVFPJVYLOD-UHFFFAOYSA-N
Compound name
1-morpholin-4-yl-2-propylpentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.17288 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.18016 153.9
[M+Na]+ 236.16210 156.8
[M-H]- 212.16560 155.1
[M+NH4]+ 231.20670 169.5
[M+K]+ 252.13604 157.0
[M+H-H2O]+ 196.17014 146.6
[M+HCOO]- 258.17108 169.5
[M+CH3COO]- 272.18673 188.3
[M+Na-2H]- 234.14755 155.9
[M]+ 213.17233 152.5
[M]- 213.17343 152.5
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

No patent data available for this compound.