CID 138987458

Rac-(1r,7r,8s)-bicyclo[5.2.0]nonan-8-amine hydrochloride

Structural Information

Molecular Formula
C9H17N
SMILES
C1CC[C@H]2C[C@H]([C@H]2CC1)N
InChI
InChI=1S/C9H17N/c10-9-6-7-4-2-1-3-5-8(7)9/h7-9H,1-6,10H2/t7-,8-,9+/m0/s1
InChIKey
XRKZDWVJLZXXMB-XHNCKOQMSA-N
Compound name
(1S,7S,8R)-bicyclo[5.2.0]nonan-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.1361 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.14338 127.5
[M+Na]+ 162.12532 130.1
[M-H]- 138.12882 132.0
[M+NH4]+ 157.16992 142.2
[M+K]+ 178.09926 134.0
[M+H-H2O]+ 122.13336 119.3
[M+HCOO]- 184.13430 145.6
[M+CH3COO]- 198.14995 182.8
[M+Na-2H]- 160.11077 132.3
[M]+ 139.13555 127.2
[M]- 139.13665 127.2
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.