CID 6476637

Phytylamine

Structural Information

Molecular Formula
C20H41N
SMILES
C[C@@H](CCC[C@@H](C)CCC/C(=C/CN)/C)CCCC(C)C
InChI
InChI=1S/C20H41N/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19H,6-14,16,21H2,1-5H3/b20-15+/t18-,19-/m1/s1
InChIKey
FLZKEAJMRZLDDO-PYDDKJGSSA-N
Compound name
(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

295.3239 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.33118 188.3
[M+Na]+ 318.31312 188.4
[M-H]- 294.31662 185.8
[M+NH4]+ 313.35772 203.2
[M+K]+ 334.28706 185.4
[M+H-H2O]+ 278.32116 181.4
[M+HCOO]- 340.32210 204.1
[M+CH3COO]- 354.33775 215.3
[M+Na-2H]- 316.29857 181.9
[M]+ 295.32335 189.6
[M]- 295.32445 189.6
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