CID 562932

2-benzyl-2,5-diazabicyclo[2.2.1]heptane

Structural Information

Molecular Formula
C12H16N2
SMILES
C1C2CNC1CN2CC3=CC=CC=C3
InChI
InChI=1S/C12H16N2/c1-2-4-10(5-3-1)8-14-9-11-6-12(14)7-13-11/h1-5,11-13H,6-9H2
InChIKey
JPRFUVVWNBBEDI-UHFFFAOYSA-N
Compound name
2-benzyl-2,5-diazabicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

346
Patents

188.13135 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.138626 142.9
[M+Na]+ 211.120568 149.5
[M-H]- 187.124074 144.7
[M+NH4]+ 206.165173 164.2
[M+K]+ 227.094508 145.5
[M+H-H2O]+ 171.128610 135.7
[M+HCOO]- 233.129551 160.9
[M+CH3COO]- 247.145201 154.7
[M+Na-2H]- 209.106016 146.2
[M]+ 188.13080142 139.0
[M]- 188.13189858 139.0
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

patents stripe