CID 177798219

Methyl 2-ethenylpent-4-ynoate

Structural Information

Molecular Formula
C8H10O2
SMILES
COC(=O)C(CC#C)C=C
InChI
InChI=1S/C8H10O2/c1-4-6-7(5-2)8(9)10-3/h1,5,7H,2,6H2,3H3
InChIKey
VNXXSYUHBXCSFF-UHFFFAOYSA-N
Compound name
methyl 2-ethenylpent-4-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

138.06808 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.07536 128.3
[M+Na]+ 161.05730 137.5
[M-H]- 137.06080 128.2
[M+NH4]+ 156.10190 147.8
[M+K]+ 177.03124 136.1
[M+H-H2O]+ 121.06534 118.0
[M+HCOO]- 183.06628 145.2
[M+CH3COO]- 197.08193 183.5
[M+Na-2H]- 159.04275 131.7
[M]+ 138.06753 124.6
[M]- 138.06863 124.6
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.