CID 4716566

N-(4-methylbenzyl)-n-propylamine

Structural Information

Molecular Formula
C11H17N
SMILES
CCCNCC1=CC=C(C=C1)C
InChI
InChI=1S/C11H17N/c1-3-8-12-9-11-6-4-10(2)5-7-11/h4-7,12H,3,8-9H2,1-2H3
InChIKey
KEPDRVSVMRMGCR-UHFFFAOYSA-N
Compound name
N-[(4-methylphenyl)methyl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

163.1361 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.14338 137.1
[M+Na]+ 186.12532 149.8
[M+NH4]+ 181.16992 146.6
[M+K]+ 202.09926 141.8
[M-H]- 162.12882 140.8
[M+Na-2H]- 184.11077 144.9
[M]+ 163.13555 140.0
[M]- 163.13665 140.0
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