CID 88404

N-benzyloctadecylamine

Structural Information

Molecular Formula
C25H45N
SMILES
CCCCCCCCCCCCCCCCCCNCC1=CC=CC=C1
InChI
InChI=1S/C25H45N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26-24-25-21-18-17-19-22-25/h17-19,21-22,26H,2-16,20,23-24H2,1H3
InChIKey
OALZJIBCZVVPBY-UHFFFAOYSA-N
Compound name
N-benzyloctadecan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

433
Patents

359.3552 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.36248 199.9
[M+Na]+ 382.34442 199.4
[M-H]- 358.34792 200.0
[M+NH4]+ 377.38902 212.1
[M+K]+ 398.31836 193.4
[M+H-H2O]+ 342.35246 190.6
[M+HCOO]- 404.35340 219.9
[M+CH3COO]- 418.36905 224.4
[M+Na-2H]- 380.32987 199.6
[M]+ 359.35465 204.8
[M]- 359.35575 204.8
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

patents stripe