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

2
Patents

137.08406 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.091336 106.7
[M+Na]+ 160.073278 113.6
[M-H]- 136.076784 110.2
[M+NH4]+ 155.117883 114.1
[M+K]+ 176.047218 119.4
[M+H-H2O]+ 120.081320 89.5
[M+HCOO]- 182.082261 119.6
[M+CH3COO]- 196.097911 193.3
[M+Na-2H]- 158.058726 115.2
[M]+ 137.08351142 116.4
[M]- 137.08460858 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

patents stripe