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

23
Patents

167.13101 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.138286 137.1
[M+Na]+ 190.120228 139.9
[M-H]- 166.123734 140.0
[M+NH4]+ 185.164833 157.4
[M+K]+ 206.094168 139.9
[M+H-H2O]+ 150.128270 130.6
[M+HCOO]- 212.129211 153.1
[M+CH3COO]- 226.144861 147.8
[M+Na-2H]- 188.105676 140.2
[M]+ 167.13046142 125.8
[M]- 167.13155858 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