CID 170918498

6-ethynylspiro[3.3]heptan-1-one

Structural Information

Molecular Formula
C9H10O
SMILES
C#CC1CC2(C1)CCC2=O
InChI
InChI=1S/C9H10O/c1-2-7-5-9(6-7)4-3-8(9)10/h1,7H,3-6H2
InChIKey
ZLSVKHLGCIVULY-UHFFFAOYSA-N
Compound name
2-ethynylspiro[3.3]heptan-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

134.07317 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.080446 112.6
[M+Na]+ 157.062388 120.5
[M-H]- 133.065894 117.6
[M+NH4]+ 152.106993 122.6
[M+K]+ 173.036328 124.2
[M+H-H2O]+ 117.070430 97.0
[M+HCOO]- 179.071371 127.3
[M+CH3COO]- 193.087021 193.9
[M+Na-2H]- 155.047836 119.1
[M]+ 134.07262142 121.6
[M]- 134.07371858 121.6
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.