CID 92574802

Rac-1-[(1r,2s,4s)-bicyclo[2.2.1]heptan-2-yl]piperazine

Structural Information

Molecular Formula
C11H20N2
SMILES
C1C[C@@H]2C[C@H]1C[C@@H]2N3CCNCC3
InChI
InChI=1S/C11H20N2/c1-2-10-7-9(1)8-11(10)13-5-3-12-4-6-13/h9-12H,1-8H2/t9-,10+,11-/m0/s1
InChIKey
LLAVOYVMTSPJFK-AXFHLTTASA-N
Compound name
1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.16264 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.16992 144.4
[M+Na]+ 203.15186 148.2
[M-H]- 179.15536 145.0
[M+NH4]+ 198.19646 165.6
[M+K]+ 219.12580 145.0
[M+H-H2O]+ 163.15990 137.0
[M+HCOO]- 225.16084 158.1
[M+CH3COO]- 239.17649 154.7
[M+Na-2H]- 201.13731 144.8
[M]+ 180.16209 135.7
[M]- 180.16319 135.7
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.