CID 139022760

7-azaspiro[3.5]nonan-6-one

Structural Information

Molecular Formula
C8H13NO
SMILES
C1CC2(C1)CCNC(=O)C2
InChI
InChI=1S/C8H13NO/c10-7-6-8(2-1-3-8)4-5-9-7/h1-6H2,(H,9,10)
InChIKey
QGYZVUSLLNTMHW-UHFFFAOYSA-N
Compound name
7-azaspiro[3.5]nonan-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.09972 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.10700 127.0
[M+Na]+ 162.08894 131.8
[M-H]- 138.09244 129.4
[M+NH4]+ 157.13354 142.2
[M+K]+ 178.06288 132.7
[M+H-H2O]+ 122.09698 116.9
[M+HCOO]- 184.09792 143.6
[M+CH3COO]- 198.11357 172.4
[M+Na-2H]- 160.07439 133.7
[M]+ 139.09917 128.7
[M]- 139.10027 128.7
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.