CID 165466563

4-ethynylspiro[2.4]heptane

Structural Information

Molecular Formula
C9H12
SMILES
C#CC1CCCC12CC2
InChI
InChI=1S/C9H12/c1-2-8-4-3-5-9(8)6-7-9/h1,8H,3-7H2
InChIKey
VPTQSNWTONGFCL-UHFFFAOYSA-N
Compound name
7-ethynylspiro[2.4]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

120.0939 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.10118 124.0
[M+Na]+ 143.08312 140.1
[M-H]- 119.08662 131.0
[M+NH4]+ 138.12772 145.0
[M+K]+ 159.05706 132.5
[M+H-H2O]+ 103.09116 116.1
[M+HCOO]- 165.09210 142.7
[M+CH3COO]- 179.10775 138.5
[M+Na-2H]- 141.06857 131.2
[M]+ 120.09335 120.3
[M]- 120.09445 120.3
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.