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]+ 193.169916 144.6
[M+Na]+ 215.151858 150.7
[M-H]- 191.155364 143.0
[M+NH4]+ 210.196463 160.3
[M+K]+ 231.125798 144.0
[M+H-H2O]+ 175.159900 130.9
[M+HCOO]- 237.160841 152.2
[M+CH3COO]- 251.176491 152.6
[M+Na-2H]- 213.137306 148.1
[M]+ 192.16209142 129.7
[M]- 192.16318858 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.