CID 84777962

2377033-20-8

Structural Information

Molecular Formula
C12H16N2O
SMILES
COC1=CC=C(C=C1)N2CC3CC(C2)N3
InChI
InChI=1S/C12H16N2O/c1-15-12-4-2-11(3-5-12)14-7-9-6-10(8-14)13-9/h2-5,9-10,13H,6-8H2,1H3
InChIKey
AQWOBRNJIZKVEK-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)-3,6-diazabicyclo[3.1.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.12627 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.13355 139.0
[M+Na]+ 227.11549 147.0
[M+NH4]+ 222.16009 145.3
[M+K]+ 243.08943 141.8
[M-H]- 203.11899 136.3
[M+Na-2H]- 225.10094 138.4
[M]+ 204.12572 138.2
[M]- 204.12682 138.2
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

No patent data available for this compound.