CID 23349

Dipropargyl ether

Structural Information

Molecular Formula
C6H6O
SMILES
C#CCOCC#C
InChI
InChI=1S/C6H6O/c1-3-5-7-6-4-2/h1-2H,5-6H2
InChIKey
HRDCVMSNCBAMAM-UHFFFAOYSA-N
Compound name
3-prop-2-ynoxyprop-1-yne
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

57
References

3337
Patents

94.04186 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 95.049136 144.5
[M+Na]+ 117.03108 153.1
[M+NH4]+ 112.07568 145.5
[M+K]+ 133.00502 143.3
[M-H]- 93.034584 132.7
[M+Na-2H]- 115.01653 143.2
[M]+ 94.041311 141.1
[M]- 94.042409 141.1
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