CID 156879043

1-ethynyl-1-(methoxymethyl)cyclopentane

Structural Information

Molecular Formula
C9H14O
SMILES
COCC1(CCCC1)C#C
InChI
InChI=1S/C9H14O/c1-3-9(8-10-2)6-4-5-7-9/h1H,4-8H2,2H3
InChIKey
QCUFTXIBAYTFSW-UHFFFAOYSA-N
Compound name
1-ethynyl-1-(methoxymethyl)cyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

138.10446 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.11174 130.2
[M+Na]+ 161.09368 140.0
[M-H]- 137.09718 132.5
[M+NH4]+ 156.13828 153.0
[M+K]+ 177.06762 136.1
[M+H-H2O]+ 121.10172 119.9
[M+HCOO]- 183.10266 147.5
[M+CH3COO]- 197.11831 181.4
[M+Na-2H]- 159.07913 134.9
[M]+ 138.10391 124.1
[M]- 138.10501 124.1
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

patents stripe