CID 83778

Propargyl methacrylate

Structural Information

Molecular Formula
C7H8O2
SMILES
CC(=C)C(=O)OCC#C
InChI
InChI=1S/C7H8O2/c1-4-5-9-7(8)6(2)3/h1H,2,5H2,3H3
InChIKey
PZAWASVJOPLHCJ-UHFFFAOYSA-N
Compound name
prop-2-ynyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

1995
Patents

124.05243 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.05971 124.3
[M+Na]+ 147.04165 133.8
[M-H]- 123.04515 124.3
[M+NH4]+ 142.08625 144.2
[M+K]+ 163.01559 132.6
[M+H-H2O]+ 107.04969 114.1
[M+HCOO]- 169.05063 141.4
[M+CH3COO]- 183.06628 180.8
[M+Na-2H]- 145.02710 128.1
[M]+ 124.05188 120.2
[M]- 124.05298 120.2
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