CID 52321

73728-69-5

Structural Information

Molecular Formula
C14H23N
SMILES
CCC(C1=CC=C(C=C1)C)N(CC)CC
InChI
InChI=1S/C14H23N/c1-5-14(15(6-2)7-3)13-10-8-12(4)9-11-13/h8-11,14H,5-7H2,1-4H3
InChIKey
BEADCFYLINBSBS-UHFFFAOYSA-N
Compound name
N,N-diethyl-1-(4-methylphenyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.18304 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.19032 150.9
[M+Na]+ 228.17226 162.9
[M+NH4]+ 223.21686 160.0
[M+K]+ 244.14620 155.4
[M-H]- 204.17576 154.6
[M+Na-2H]- 226.15771 157.8
[M]+ 205.18249 153.7
[M]- 205.18359 153.7
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

No patent data available for this compound.