CID 2760915

845866-74-2

Structural Information

Molecular Formula
C13H18N2O
SMILES
COC1=CC=C(C=C1)CN2CC3CC2CN3
InChI
InChI=1S/C13H18N2O/c1-16-13-4-2-10(3-5-13)8-15-9-11-6-12(15)7-14-11/h2-5,11-12,14H,6-9H2,1H3
InChIKey
KUUJGYZFZYKMST-UHFFFAOYSA-N
Compound name
2-[(4-methoxyphenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.1419 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.14918 150.6
[M+Na]+ 241.13112 161.1
[M+NH4]+ 236.17572 159.4
[M+K]+ 257.10506 158.0
[M-H]- 217.13462 152.0
[M+Na-2H]- 239.11657 154.0
[M]+ 218.14135 152.2
[M]- 218.14245 152.2
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.