CID 140947

Benzylamine, n,n-dioctyl-

Structural Information

Molecular Formula
C23H41N
SMILES
CCCCCCCCN(CCCCCCCC)CC1=CC=CC=C1
InChI
InChI=1S/C23H41N/c1-3-5-7-9-11-16-20-24(21-17-12-10-8-6-4-2)22-23-18-14-13-15-19-23/h13-15,18-19H,3-12,16-17,20-22H2,1-2H3
InChIKey
FXMGLWYTXDUDLS-UHFFFAOYSA-N
Compound name
N-benzyl-N-octyloctan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

171
Patents

331.3239 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.33118 192.6
[M+Na]+ 354.31312 193.2
[M-H]- 330.31662 194.7
[M+NH4]+ 349.35772 206.7
[M+K]+ 370.28706 189.0
[M+H-H2O]+ 314.32116 183.5
[M+HCOO]- 376.32210 213.8
[M+CH3COO]- 390.33775 221.9
[M+Na-2H]- 352.29857 192.5
[M]+ 331.32335 198.0
[M]- 331.32445 198.0
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