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

8
Patents

124.08881 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.096086 126.3
[M+Na]+ 147.078028 136.4
[M-H]- 123.081534 128.7
[M+NH4]+ 142.122633 149.6
[M+K]+ 163.051968 132.7
[M+H-H2O]+ 107.086070 116.1
[M+HCOO]- 169.087011 143.9
[M+CH3COO]- 183.102661 178.7
[M+Na-2H]- 145.063476 131.4
[M]+ 124.08826142 119.8
[M]- 124.08935858 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