CID 19770737

1-azaspiro[4.4]nonane

Structural Information

Molecular Formula
C8H15N
SMILES
C1CCC2(C1)CCCN2
InChI
InChI=1S/C8H15N/c1-2-5-8(4-1)6-3-7-9-8/h9H,1-7H2
InChIKey
FJGFHPNQSDXCFC-UHFFFAOYSA-N
Compound name
1-azaspiro[4.4]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1009
Patents

125.12045 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.127726 130.6
[M+Na]+ 148.109668 135.7
[M-H]- 124.113174 132.7
[M+NH4]+ 143.154273 155.9
[M+K]+ 164.083608 133.7
[M+H-H2O]+ 108.117710 124.7
[M+HCOO]- 170.118651 149.8
[M+CH3COO]- 184.134301 143.1
[M+Na-2H]- 146.095116 134.2
[M]+ 125.11990142 122.5
[M]- 125.12099858 122.5
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