CID 16119628

1-(4-methoxyphenyl)-1,4-diazepane

Structural Information

Molecular Formula
C12H18N2O
SMILES
COC1=CC=C(C=C1)N2CCCNCC2
InChI
InChI=1S/C12H18N2O/c1-15-12-5-3-11(4-6-12)14-9-2-7-13-8-10-14/h3-6,13H,2,7-10H2,1H3
InChIKey
NQONMMZWDHCWAW-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-1,4-diazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

206.1419 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.14918 147.4
[M+Na]+ 229.13112 157.7
[M+NH4]+ 224.17572 154.7
[M+K]+ 245.10506 152.5
[M-H]- 205.13462 149.8
[M+Na-2H]- 227.11657 154.3
[M]+ 206.14135 149.4
[M]- 206.14245 149.4
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