CID 6435659

N-(2-ethyl-2-hexenylidene)-1-heneicosanamine

Structural Information

Molecular Formula
C29H57N
SMILES
CCCCCCCCCCCCCCCCCCCCCN=C/C(=C/CCC)/CC
InChI
InChI=1S/C29H57N/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-30-28-29(6-3)26-8-5-2/h26,28H,4-25,27H2,1-3H3/b29-26+,30-28?
InChIKey
YLMMFDJRFDAPIX-GEUXGTEGSA-N
Compound name
(E)-2-ethyl-N-henicosylhex-2-en-1-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.4491 Da
Monoisotopic Mass

12.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.45638 223.3
[M+Na]+ 442.43832 221.1
[M-H]- 418.44182 220.7
[M+NH4]+ 437.48292 234.3
[M+K]+ 458.41226 214.9
[M+H-H2O]+ 402.44636 214.2
[M+HCOO]- 464.44730 245.5
[M+CH3COO]- 478.46295 241.4
[M+Na-2H]- 440.42377 217.7
[M]+ 419.44855 232.3
[M]- 419.44965 232.3
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.