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]+ 151.111736 137.3
[M+Na]+ 173.093678 149.3
[M-H]- 149.097184 139.5
[M+NH4]+ 168.138283 164.5
[M+K]+ 189.067618 141.8
[M+H-H2O]+ 133.101720 127.9
[M+HCOO]- 195.102661 153.5
[M+CH3COO]- 209.118311 183.3
[M+Na-2H]- 171.079126 142.6
[M]+ 150.10391142 132.1
[M]- 150.10500858 132.1
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.