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

10
Patents

208.07672 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.08400 143.5
[M+Na]+ 231.06594 155.8
[M+NH4]+ 226.11054 153.5
[M+K]+ 247.03988 151.7
[M-H]- 207.06944 145.5
[M+Na-2H]- 229.05139 148.1
[M]+ 208.07617 146.0
[M]- 208.07727 146.0
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