CID 3064262

4-dodecylcarbamylmorpholine

Structural Information

Molecular Formula
C17H34N2O2
SMILES
CCCCCCCCCCCCNC(=O)N1CCOCC1
InChI
InChI=1S/C17H34N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-18-17(20)19-13-15-21-16-14-19/h2-16H2,1H3,(H,18,20)
InChIKey
IULTVCIFEQUZKK-UHFFFAOYSA-N
Compound name
N-dodecylmorpholine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

298.26202 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.26930 180.4
[M+Na]+ 321.25124 180.5
[M-H]- 297.25474 180.4
[M+NH4]+ 316.29584 192.3
[M+K]+ 337.22518 178.9
[M+H-H2O]+ 281.25928 171.4
[M+HCOO]- 343.26022 196.3
[M+CH3COO]- 357.27587 206.7
[M+Na-2H]- 319.23669 181.2
[M]+ 298.26147 180.6
[M]- 298.26257 180.6
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