CID 23336699

2-azaspiro[4.6]undecan-3-one

Structural Information

Molecular Formula
C10H17NO
SMILES
C1CCCC2(CC1)CC(=O)NC2
InChI
InChI=1S/C10H17NO/c12-9-7-10(8-11-9)5-3-1-2-4-6-10/h1-8H2,(H,11,12)
InChIKey
YXTWCCJCYBPHGQ-UHFFFAOYSA-N
Compound name
2-azaspiro[4.6]undecan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

167.13101 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.13829 137.1
[M+Na]+ 190.12023 139.9
[M-H]- 166.12373 140.0
[M+NH4]+ 185.16483 157.4
[M+K]+ 206.09417 139.9
[M+H-H2O]+ 150.12827 130.6
[M+HCOO]- 212.12921 153.1
[M+CH3COO]- 226.14486 147.8
[M+Na-2H]- 188.10568 140.2
[M]+ 167.13046 125.8
[M]- 167.13156 125.8
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

patents stripe