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]+ 140.143376 127.5
[M+Na]+ 162.125318 130.1
[M-H]- 138.128824 132.0
[M+NH4]+ 157.169923 142.2
[M+K]+ 178.099258 134.0
[M+H-H2O]+ 122.133360 119.3
[M+HCOO]- 184.134301 145.6
[M+CH3COO]- 198.149951 182.8
[M+Na-2H]- 160.110766 132.3
[M]+ 139.13555142 127.2
[M]- 139.13664858 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.