CID 83099

4-octylmorpholine

Structural Information

Molecular Formula
C12H25NO
SMILES
CCCCCCCCN1CCOCC1
InChI
InChI=1S/C12H25NO/c1-2-3-4-5-6-7-8-13-9-11-14-12-10-13/h2-12H2,1H3
InChIKey
NMLNNXGEQCSYGQ-UHFFFAOYSA-N
Compound name
4-octylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

272
Patents

199.19362 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.200896 151.2
[M+Na]+ 222.182838 154.2
[M-H]- 198.186344 152.1
[M+NH4]+ 217.227443 167.6
[M+K]+ 238.156778 153.7
[M+H-H2O]+ 182.190880 143.8
[M+HCOO]- 244.191821 168.4
[M+CH3COO]- 258.207471 186.1
[M+Na-2H]- 220.168286 155.6
[M]+ 199.19307142 150.4
[M]- 199.19416858 150.4
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