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

9
Patents

232.19395 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.201226 155.0
[M+Na]+ 255.183168 157.8
[M-H]- 231.186674 157.6
[M+NH4]+ 250.227773 168.4
[M+K]+ 271.157108 158.1
[M+H-H2O]+ 215.191210 146.9
[M+HCOO]- 277.192151 168.6
[M+CH3COO]- 291.207801 190.9
[M+Na-2H]- 253.168616 158.7
[M]+ 232.19340142 146.3
[M]- 232.19449858 146.3
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