CID 6437597

4-oleoylmorpholine

Structural Information

Molecular Formula
C22H41NO2
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)N1CCOCC1
InChI
InChI=1S/C22H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(24)23-18-20-25-21-19-23/h9-10H,2-8,11-21H2,1H3/b10-9-
InChIKey
RZLQCNYCMRDLBA-KTKRTIGZSA-N
Compound name
(Z)-1-morpholin-4-yloctadec-9-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

27
Patents

351.31372 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.32100 197.4
[M+Na]+ 374.30294 196.6
[M-H]- 350.30644 196.5
[M+NH4]+ 369.34754 207.4
[M+K]+ 390.27688 193.2
[M+H-H2O]+ 334.31098 188.1
[M+HCOO]- 396.31192 210.8
[M+CH3COO]- 410.32757 215.9
[M+Na-2H]- 372.28839 195.2
[M]+ 351.31317 199.5
[M]- 351.31427 199.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe