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 192.5
[M+Na]+ 209.05730 193.8
[M-H]- 185.06080 196.4
[M+NH4]+ 204.10190 189.4
[M+K]+ 225.03124 198.6
[M+H-H2O]+ 169.06534 181.3
[M+HCOO]- 231.06628 193.6
[M+CH3COO]- 245.08193 260.2
[M+Na-2H]- 207.04275 188.3
[M]+ 186.06753 209.3
[M]- 186.06863 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.