CID 565190

1-ethynyl-1-methoxycyclohexane

Structural Information

Molecular Formula
C9H14O
SMILES
COC1(CCCCC1)C#C
InChI
InChI=1S/C9H14O/c1-3-9(10-2)7-5-4-6-8-9/h1H,4-8H2,2H3
InChIKey
XIAIXPAXBPDAQZ-UHFFFAOYSA-N
Compound name
1-ethynyl-1-methoxycyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

138.10446 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.11174 130.5
[M+Na]+ 161.09368 141.5
[M+NH4]+ 156.13828 137.5
[M+K]+ 177.06762 130.5
[M-H]- 137.09718 124.8
[M+Na-2H]- 159.07913 134.8
[M]+ 138.10391 129.7
[M]- 138.10501 129.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe