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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.20123 158.8
[M+Na]+ 255.18317 168.6
[M+NH4]+ 250.22777 165.9
[M+K]+ 271.15711 163.4
[M-H]- 231.18667 161.0
[M+Na-2H]- 253.16862 165.2
[M]+ 232.19340 160.8
[M]- 232.19450 160.8
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

patents stripe