CID 13781396

1-ethynyl-1-methoxycyclopentane

Structural Information

Molecular Formula
C8H12O
SMILES
COC1(CCCC1)C#C
InChI
InChI=1S/C8H12O/c1-3-8(9-2)6-4-5-7-8/h1H,4-7H2,2H3
InChIKey
NBHTXFLCBGKSBC-UHFFFAOYSA-N
Compound name
1-ethynyl-1-methoxycyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

124.08881 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.09609 126.3
[M+Na]+ 147.07803 136.4
[M-H]- 123.08153 128.7
[M+NH4]+ 142.12263 149.6
[M+K]+ 163.05197 132.7
[M+H-H2O]+ 107.08607 116.1
[M+HCOO]- 169.08701 143.9
[M+CH3COO]- 183.10266 178.7
[M+Na-2H]- 145.06348 131.4
[M]+ 124.08826 119.8
[M]- 124.08936 119.8
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

patents stripe