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

4699
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

literature stripe

Patent stripe

patents stripe