CID 138989270

2005158-23-4

Structural Information

Molecular Formula
C12H17NO
SMILES
C#CC(=O)N1CCC2(CCCC2)CC1
InChI
InChI=1S/C12H17NO/c1-2-11(14)13-9-7-12(8-10-13)5-3-4-6-12/h1H,3-10H2
InChIKey
GMQRASZHJZQBGE-UHFFFAOYSA-N
Compound name
1-(8-azaspiro[4.5]decan-8-yl)prop-2-yn-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.13101 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.138286 146.3
[M+Na]+ 214.120228 154.1
[M-H]- 190.123734 147.9
[M+NH4]+ 209.164833 165.7
[M+K]+ 230.094168 148.0
[M+H-H2O]+ 174.128270 133.7
[M+HCOO]- 236.129211 158.0
[M+CH3COO]- 250.144861 188.2
[M+Na-2H]- 212.105676 147.6
[M]+ 191.13046142 134.6
[M]- 191.13155858 134.6
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.