CID 42603

3-isogranatanina bromidrato [italian]

Structural Information

Molecular Formula
C8H15N
SMILES
C1CC2CC(C1)CNC2
InChI
InChI=1S/C8H15N/c1-2-7-4-8(3-1)6-9-5-7/h7-9H,1-6H2
InChIKey
XAIUACHCJPWUEF-UHFFFAOYSA-N
Compound name
3-azabicyclo[3.3.1]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

772
Patents

125.12045 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.127726 126.9
[M+Na]+ 148.109668 130.9
[M-H]- 124.113174 125.8
[M+NH4]+ 143.154273 148.3
[M+K]+ 164.083608 128.5
[M+H-H2O]+ 108.117710 121.1
[M+HCOO]- 170.118651 141.4
[M+CH3COO]- 184.134301 138.2
[M+Na-2H]- 146.095116 134.3
[M]+ 125.11990142 118.6
[M]- 125.12099858 118.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe