CID 6476638

Phytyl diisopropylamine

Structural Information

Molecular Formula
C26H53N
SMILES
C[C@@H](CCC[C@@H](C)CCC/C(=C/CN(C(C)C)C(C)C)/C)CCCC(C)C
InChI
InChI=1S/C26H53N/c1-21(2)13-10-14-24(7)15-11-16-25(8)17-12-18-26(9)19-20-27(22(3)4)23(5)6/h19,21-25H,10-18,20H2,1-9H3/b26-19+/t24-,25-/m1/s1
InChIKey
PNQFKMGHXCPQRE-NFVCEJASSA-N
Compound name
(E,7R,11R)-3,7,11,15-tetramethyl-N,N-di(propan-2-yl)hexadec-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

379.4178 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.42508 214.1
[M+Na]+ 402.40702 211.7
[M-H]- 378.41052 212.7
[M+NH4]+ 397.45162 227.6
[M+K]+ 418.38096 209.9
[M+H-H2O]+ 362.41506 206.5
[M+HCOO]- 424.41600 227.1
[M+CH3COO]- 438.43165 238.6
[M+Na-2H]- 400.39247 202.6
[M]+ 379.41725 218.8
[M]- 379.41835 218.8
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.