CID 168440635

6-(prop-2-yn-1-yl)-2-oxa-6-azaspiro[3.3]heptane

Structural Information

Molecular Formula
C8H11NO
SMILES
C#CCN1CC2(C1)COC2
InChI
InChI=1S/C8H11NO/c1-2-3-9-4-8(5-9)6-10-7-8/h1H,3-7H2
InChIKey
LUIXMYWPXRSSHH-UHFFFAOYSA-N
Compound name
6-prop-2-ynyl-2-oxa-6-azaspiro[3.3]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

137.08406 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.09134 106.7
[M+Na]+ 160.07328 113.6
[M-H]- 136.07678 110.2
[M+NH4]+ 155.11788 114.1
[M+K]+ 176.04722 119.4
[M+H-H2O]+ 120.08132 89.5
[M+HCOO]- 182.08226 119.6
[M+CH3COO]- 196.09791 193.3
[M+Na-2H]- 158.05873 115.2
[M]+ 137.08351 116.4
[M]- 137.08461 116.4
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.