CID 66285

3,3-diethoxypropyne

Structural Information

Molecular Formula
C7H12O2
SMILES
CCOC(C#C)OCC
InChI
InChI=1S/C7H12O2/c1-4-7(8-5-2)9-6-3/h1,7H,5-6H2,2-3H3
InChIKey
RGUXEWWHSQGVRZ-UHFFFAOYSA-N
Compound name
3,3-diethoxyprop-1-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1309
Patents

128.08372 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.09100 123.6
[M+Na]+ 151.07294 132.8
[M-H]- 127.07644 123.5
[M+NH4]+ 146.11754 143.6
[M+K]+ 167.04688 132.4
[M+H-H2O]+ 111.08098 113.3
[M+HCOO]- 173.08192 141.3
[M+CH3COO]- 187.09757 182.4
[M+Na-2H]- 149.05839 128.8
[M]+ 128.08317 121.5
[M]- 128.08427 121.5
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.