CID 16749563

(1s,4s)-(-)-2-(4-chlorophenyl)-2,5-diazabicyclo[2.2.1]heptane hydrobromide

Structural Information

Molecular Formula
C11H13ClN2
SMILES
C1[C@H]2CN[C@@H]1CN2C3=CC=C(C=C3)Cl
InChI
InChI=1S/C11H13ClN2/c12-8-1-3-10(4-2-8)14-7-9-5-11(14)6-13-9/h1-4,9,11,13H,5-7H2/t9-,11-/m0/s1
InChIKey
XAUFGRBPRFQPRU-ONGXEEELSA-N
Compound name
(1S,4S)-2-(4-chlorophenyl)-2,5-diazabicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

208.07672 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.083996 147.1
[M+Na]+ 231.065938 155.8
[M-H]- 207.069444 149.0
[M+NH4]+ 226.110543 168.6
[M+K]+ 247.039878 150.1
[M+H-H2O]+ 191.073980 140.4
[M+HCOO]- 253.074921 160.5
[M+CH3COO]- 267.090571 159.0
[M+Na-2H]- 229.051386 149.4
[M]+ 208.07617142 145.0
[M]- 208.07726858 145.0
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.