CID 66285

10160-87-9

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

1400
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 124.9
[M+Na]+ 151.07294 135.1
[M+NH4]+ 146.11754 129.2
[M+K]+ 167.04688 127.2
[M-H]- 127.07644 116.5
[M+Na-2H]- 149.05839 126.2
[M]+ 128.08317 123.0
[M]- 128.08427 123.0
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