CID 47457

2-azaspiro[4.5]decan-3-one

Structural Information

Molecular Formula
C9H15NO
SMILES
C1CCC2(CC1)CC(=O)NC2
InChI
InChI=1S/C9H15NO/c11-8-6-9(7-10-8)4-2-1-3-5-9/h1-7H2,(H,10,11)
InChIKey
JAWPQJDOQPSNIQ-UHFFFAOYSA-N
Compound name
2-azaspiro[4.5]decan-3-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

22
References

419
Patents

153.11537 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.122646 135.6
[M+Na]+ 176.104588 140.6
[M-H]- 152.108094 137.5
[M+NH4]+ 171.149193 158.2
[M+K]+ 192.078528 138.0
[M+H-H2O]+ 136.112630 129.5
[M+HCOO]- 198.113571 152.7
[M+CH3COO]- 212.129221 169.8
[M+Na-2H]- 174.090036 139.6
[M]+ 153.11482142 126.8
[M]- 153.11591858 126.8
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