CID 3085501

Benzenemethanamine, n-(1-undecyldodecyl)-

Structural Information

Molecular Formula
C30H55N
SMILES
CCCCCCCCCCCC(CCCCCCCCCCC)NCC1=CC=CC=C1
InChI
InChI=1S/C30H55N/c1-3-5-7-9-11-13-15-17-22-26-30(31-28-29-24-20-19-21-25-29)27-23-18-16-14-12-10-8-6-4-2/h19-21,24-25,30-31H,3-18,22-23,26-28H2,1-2H3
InChIKey
SDIVGRTZBGCYQC-UHFFFAOYSA-N
Compound name
N-benzyltricosan-12-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

429.43344 Da
Monoisotopic Mass

12.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.44072 223.2
[M+Na]+ 452.42266 231.2
[M+NH4]+ 447.46726 229.2
[M+K]+ 468.39660 219.2
[M-H]- 428.42616 225.8
[M+Na-2H]- 450.40811 225.6
[M]+ 429.43289 225.0
[M]- 429.43399 225.0
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

patents stripe