CID 85290597

210172-12-6

Structural Information

Molecular Formula
C10H12O
SMILES
C#CCC1CCC(=O)C2C1C2
InChI
InChI=1S/C10H12O/c1-2-3-7-4-5-10(11)9-6-8(7)9/h1,7-9H,3-6H2
InChIKey
ZDXVGMHWRJLHPG-UHFFFAOYSA-N
Compound name
5-prop-2-ynylbicyclo[4.1.0]heptan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.08882 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.09610 128.3
[M+Na]+ 171.07804 144.4
[M-H]- 147.08154 134.3
[M+NH4]+ 166.12264 146.1
[M+K]+ 187.05198 136.4
[M+H-H2O]+ 131.08608 120.2
[M+HCOO]- 193.08702 145.4
[M+CH3COO]- 207.10267 188.9
[M+Na-2H]- 169.06349 135.1
[M]+ 148.08827 125.9
[M]- 148.08937 125.9
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.