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 223.0
[M+Na]+ 452.42266 220.1
[M-H]- 428.42616 222.1
[M+NH4]+ 447.46726 232.2
[M+K]+ 468.39660 213.3
[M+H-H2O]+ 412.43070 212.7
[M+HCOO]- 474.43164 240.3
[M+CH3COO]- 488.44729 239.8
[M+Na-2H]- 450.40811 218.7
[M]+ 429.43289 229.0
[M]- 429.43399 229.0
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