CID 69393

Methyl propargyl ether

Structural Information

Molecular Formula
C4H6O
SMILES
COCC#C
InChI
InChI=1S/C4H6O/c1-3-4-5-2/h1H,4H2,2H3
InChIKey
YACFFSVYSPMSGS-UHFFFAOYSA-N
Compound name
3-methoxyprop-1-yne
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

4719
Patents

70.04186 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 71.049136 107.9
[M+Na]+ 93.031078 118.5
[M-H]- 69.034584 108.3
[M+NH4]+ 88.075683 130.1
[M+K]+ 109.00502 118.0
[M+H-H2O]+ 53.039120 98.4
[M+HCOO]- 115.04006 127.2
[M+CH3COO]- 129.05571 171.8
[M+Na-2H]- 91.016526 115.9
[M]+ 70.041311 104.2
[M]- 70.042409 104.2
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.