CID 137942679

6-ethynylspiro[3.3]heptan-2-one

Structural Information

Molecular Formula
C9H10O
SMILES
C#CC1CC2(C1)CC(=O)C2
InChI
InChI=1S/C9H10O/c1-2-7-3-9(4-7)5-8(10)6-9/h1,7H,3-6H2
InChIKey
FGVCFSXLCSEIKX-UHFFFAOYSA-N
Compound name
6-ethynylspiro[3.3]heptan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

134.07317 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.08045 112.6
[M+Na]+ 157.06239 120.5
[M-H]- 133.06589 117.6
[M+NH4]+ 152.10699 122.6
[M+K]+ 173.03633 124.2
[M+H-H2O]+ 117.07043 97.0
[M+HCOO]- 179.07137 127.3
[M+CH3COO]- 193.08702 193.9
[M+Na-2H]- 155.04784 119.1
[M]+ 134.07262 121.6
[M]- 134.07372 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

literature stripe

Patent stripe

No patent data available for this compound.