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]+ 187.075356 192.5
[M+Na]+ 209.057298 193.8
[M-H]- 185.060804 196.4
[M+NH4]+ 204.101903 189.4
[M+K]+ 225.031238 198.6
[M+H-H2O]+ 169.065340 181.3
[M+HCOO]- 231.066281 193.6
[M+CH3COO]- 245.081931 260.2
[M+Na-2H]- 207.042746 188.3
[M]+ 186.06753142 209.3
[M]- 186.06862858 209.3
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.