CID 165661438

Rac-(1r,5r)-bicyclo[3.2.0]heptan-2-amine

Structural Information

Molecular Formula
C7H13N
SMILES
C1C[C@H]2[C@@H]1CCC2N
InChI
InChI=1S/C7H13N/c8-7-4-2-5-1-3-6(5)7/h5-7H,1-4,8H2/t5-,6-,7?/m0/s1
InChIKey
BDTYDKAOLDKOBQ-WABBHOIFSA-N
Compound name
(1S,5S)-bicyclo[3.2.0]heptan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

111.1048 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.11208 119.7
[M+Na]+ 134.09402 125.2
[M-H]- 110.09752 123.6
[M+NH4]+ 129.13862 138.3
[M+K]+ 150.06796 126.7
[M+H-H2O]+ 94.102060 110.3
[M+HCOO]- 156.10300 141.1
[M+CH3COO]- 170.11865 174.7
[M+Na-2H]- 132.07947 124.7
[M]+ 111.10425 123.9
[M]- 111.10535 123.9
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.