CID 61211

N-benzyl-n-ethylethanamine

Structural Information

Molecular Formula
C11H17N
SMILES
CCN(CC)CC1=CC=CC=C1
InChI
InChI=1S/C11H17N/c1-3-12(4-2)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
InChIKey
ZWRDBWDXRLPESY-UHFFFAOYSA-N
Compound name
N-benzyl-N-ethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

8851
Patents

163.1361 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.14338 137.2
[M+Na]+ 186.12532 143.1
[M-H]- 162.12882 141.8
[M+NH4]+ 181.16992 158.3
[M+K]+ 202.09926 142.1
[M+H-H2O]+ 146.13336 130.8
[M+HCOO]- 208.13430 162.7
[M+CH3COO]- 222.14995 185.9
[M+Na-2H]- 184.11077 143.9
[M]+ 163.13555 138.4
[M]- 163.13665 138.4
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