CID 73764

4-dodecylmorpholine

Structural Information

Molecular Formula
C16H33NO
SMILES
CCCCCCCCCCCCN1CCOCC1
InChI
InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18-16-14-17/h2-16H2,1H3
InChIKey
ZRIILUSQBDFVNY-UHFFFAOYSA-N
Compound name
4-dodecylmorpholine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

707
Patents

255.25621 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.26349 169.3
[M+Na]+ 278.24543 170.6
[M-H]- 254.24893 169.4
[M+NH4]+ 273.29003 183.4
[M+K]+ 294.21937 169.0
[M+H-H2O]+ 238.25347 161.0
[M+HCOO]- 300.25441 185.1
[M+CH3COO]- 314.27006 198.2
[M+Na-2H]- 276.23088 171.5
[M]+ 255.25566 170.0
[M]- 255.25676 170.0
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