CID 137943180

1-ethynyl-4-methoxybicyclo[2.2.1]heptane

Structural Information

Molecular Formula
C10H14O
SMILES
COC12CCC(C1)(CC2)C#C
InChI
InChI=1S/C10H14O/c1-3-9-4-6-10(8-9,11-2)7-5-9/h1H,4-8H2,2H3
InChIKey
IRXSWBWFYYUYTN-UHFFFAOYSA-N
Compound name
1-ethynyl-4-methoxybicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

150.10446 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.11174 132.8
[M+Na]+ 173.09368 141.7
[M+NH4]+ 168.13828 141.4
[M+K]+ 189.06762 132.4
[M-H]- 149.09718 125.4
[M+Na-2H]- 171.07913 135.0
[M]+ 150.10391 131.3
[M]- 150.10501 131.3
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.