CID 34043

Brn 1636770

Structural Information

Molecular Formula
C8H10O3
SMILES
C#CCOCC1CCC(=O)O1
InChI
InChI=1S/C8H10O3/c1-2-5-10-6-7-3-4-8(9)11-7/h1,7H,3-6H2
InChIKey
OFRGUEUKTJODEE-UHFFFAOYSA-N
Compound name
5-(prop-2-ynoxymethyl)oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.06299 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.07027 127.1
[M+Na]+ 177.05221 137.0
[M-H]- 153.05571 129.6
[M+NH4]+ 172.09681 146.3
[M+K]+ 193.02615 135.3
[M+H-H2O]+ 137.06025 116.0
[M+HCOO]- 199.06119 144.3
[M+CH3COO]- 213.07684 182.7
[M+Na-2H]- 175.03766 131.7
[M]+ 154.06244 123.1
[M]- 154.06354 123.1
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.