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]+ 219.149176 150.8
[M+Na]+ 241.131118 157.7
[M-H]- 217.134624 152.8
[M+NH4]+ 236.175723 171.1
[M+K]+ 257.105058 153.9
[M+H-H2O]+ 201.139160 143.6
[M+HCOO]- 263.140101 168.5
[M+CH3COO]- 277.155751 162.3
[M+Na-2H]- 239.116566 152.9
[M]+ 218.14135142 149.0
[M]- 218.14244858 149.0
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.