CID 46295

Benzyloctylmethylamine

Structural Information

Molecular Formula
C16H27N
SMILES
CCCCCCCCN(C)CC1=CC=CC=C1
InChI
InChI=1S/C16H27N/c1-3-4-5-6-7-11-14-17(2)15-16-12-9-8-10-13-16/h8-10,12-13H,3-7,11,14-15H2,1-2H3
InChIKey
QWYNLUCESJHDQQ-UHFFFAOYSA-N
Compound name
N-benzyl-N-methyloctan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

233.21436 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.22164 160.6
[M+Na]+ 256.20358 164.3
[M-H]- 232.20708 164.2
[M+NH4]+ 251.24818 178.8
[M+K]+ 272.17752 162.0
[M+H-H2O]+ 216.21162 153.1
[M+HCOO]- 278.21256 184.3
[M+CH3COO]- 292.22821 201.0
[M+Na-2H]- 254.18903 164.5
[M]+ 233.21381 163.6
[M]- 233.21491 163.6
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