CID 16119632

934992-03-7

Structural Information

Molecular Formula

C₁₅H₂₄N₂

SMILES

CC(C)(C)C1=CC=C(C=C1)N2CCCNCC2

InChI

InChI=1S/C15H24N2/c1-15(2,3)13-5-7-14(8-6-13)17-11-4-9-16-10-12-17/h5-8,16H,4,9-12H2,1-3H3

InChIKey

ZVOWFNFBZJSHJL-UHFFFAOYSA-N

Compound name

1-(4-tert-butylphenyl)-1,4-diazepane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 232.19395 Da
Monoisotopic Mass: 3.4
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]+	233.20123	155.0
[M+Na]+	255.18317	157.8
[M-H]-	231.18667	157.6
[M+NH4]+	250.22777	168.4
[M+K]+	271.15711	158.1
[M+H-H2O]+	215.19121	146.9
[M+HCOO]-	277.19215	168.6
[M+CH3COO]-	291.20780	190.9
[M+Na-2H]-	253.16862	158.7
[M]+	232.19340	146.3
[M]-	232.19450	146.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe