CID 145866920

2167874-38-4

Structural Information

Molecular Formula
C12H10O2
SMILES
COC(=O)C12C3C4C1C5C2C3C45C#C
InChI
InChI=1S/C12H10O2/c1-3-11-4-7-5(11)9-6(11)8(4)12(7,9)10(13)14-2/h1,4-9H,2H3
InChIKey
CKNWZMAUUHXGMY-UHFFFAOYSA-N
Compound name
methyl 4-ethynylcubane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.06808 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.07536 206.3
[M+Na]+ 209.05730 202.3
[M+NH4]+ 204.10190 202.5
[M+K]+ 225.03124 199.6
[M-H]- 185.06080 200.5
[M+Na-2H]- 207.04275 199.0
[M]+ 186.06753 202.3
[M]- 186.06863 202.3
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.