CID 3016385

Xurvsfnnjnomqw-uhfffaoysa-n

Structural Information

Molecular Formula
C14H25NO
SMILES
CC(CCC=C(C)C)C=CN1CCOCC1
InChI
InChI=1S/C14H25NO/c1-13(2)5-4-6-14(3)7-8-15-9-11-16-12-10-15/h5,7-8,14H,4,6,9-12H2,1-3H3
InChIKey
XURVSFNNJNOMQW-UHFFFAOYSA-N
Compound name
4-(3,7-dimethylocta-1,6-dienyl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.19362 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.200896 158.8
[M+Na]+ 246.182838 161.3
[M-H]- 222.186344 159.7
[M+NH4]+ 241.227443 174.1
[M+K]+ 262.156778 159.9
[M+H-H2O]+ 206.190880 151.5
[M+HCOO]- 268.191821 173.7
[M+CH3COO]- 282.207471 190.8
[M+Na-2H]- 244.168286 159.7
[M]+ 223.19307142 155.9
[M]- 223.19416858 155.9
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.