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

326
Patents

188.13135 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.13863 142.9
[M+Na]+ 211.12057 149.5
[M-H]- 187.12407 144.7
[M+NH4]+ 206.16517 164.2
[M+K]+ 227.09451 145.5
[M+H-H2O]+ 171.12861 135.7
[M+HCOO]- 233.12955 160.9
[M+CH3COO]- 247.14520 154.7
[M+Na-2H]- 209.10602 146.2
[M]+ 188.13080 139.0
[M]- 188.13190 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