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

11
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 147.1
[M+Na]+ 231.06594 155.8
[M-H]- 207.06944 149.0
[M+NH4]+ 226.11054 168.6
[M+K]+ 247.03988 150.1
[M+H-H2O]+ 191.07398 140.4
[M+HCOO]- 253.07492 160.5
[M+CH3COO]- 267.09057 159.0
[M+Na-2H]- 229.05139 149.4
[M]+ 208.07617 145.0
[M]- 208.07727 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

patents stripe