CID 130535835

3-(prop-2-yn-1-yl)-3,9-diazaspiro[5.5]undecane dihydrochloride

Structural Information

Molecular Formula
C12H20N2
SMILES
C#CCN1CCC2(CCNCC2)CC1
InChI
InChI=1S/C12H20N2/c1-2-9-14-10-5-12(6-11-14)3-7-13-8-4-12/h1,13H,3-11H2
InChIKey
URKVJMLGRRMYBA-UHFFFAOYSA-N
Compound name
3-prop-2-ynyl-3,9-diazaspiro[5.5]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.16264 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.16992 144.6
[M+Na]+ 215.15186 150.7
[M-H]- 191.15536 143.0
[M+NH4]+ 210.19646 160.3
[M+K]+ 231.12580 144.0
[M+H-H2O]+ 175.15990 130.9
[M+HCOO]- 237.16084 152.2
[M+CH3COO]- 251.17649 152.6
[M+Na-2H]- 213.13731 148.1
[M]+ 192.16209 129.7
[M]- 192.16319 129.7
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.