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

1
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

patents stripe