CID 6446852

4-farnesylmorpholine

Structural Information

Molecular Formula
C19H33NO
SMILES
CC(=CCC/C(=C/CC/C(=C/CN1CCOCC1)/C)/C)C
InChI
InChI=1S/C19H33NO/c1-17(2)7-5-8-18(3)9-6-10-19(4)11-12-20-13-15-21-16-14-20/h7,9,11H,5-6,8,10,12-16H2,1-4H3/b18-9+,19-11+
InChIKey
SNDOFKPAIDYDBN-ZYCAGONGSA-N
Compound name
4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.25623 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.26351 180.3
[M+Na]+ 314.24545 180.9
[M-H]- 290.24895 180.5
[M+NH4]+ 309.29005 192.8
[M+K]+ 330.21939 178.1
[M+H-H2O]+ 274.25349 172.3
[M+HCOO]- 336.25443 192.8
[M+CH3COO]- 350.27008 205.2
[M+Na-2H]- 312.23090 177.4
[M]+ 291.25568 177.9
[M]- 291.25678 177.9
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.