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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	206.19032	151.1
[M+Na]+	228.17226	156.3
[M-H]-	204.17576	155.6
[M+NH4]+	223.21686	170.7
[M+K]+	244.14620	155.1
[M+H-H2O]+	188.18030	144.4
[M+HCOO]-	250.18124	174.5
[M+CH3COO]-	264.19689	196.9
[M+Na-2H]-	226.15771	154.2
[M]+	205.18249	153.1
[M]-	205.18359	153.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe