CID 137942697

2260931-31-3

Structural Information

Molecular Formula
C8H10O3
SMILES
CCC1(COC1)C#CC(=O)O
InChI
InChI=1S/C8H10O3/c1-2-8(5-11-6-8)4-3-7(9)10/h2,5-6H2,1H3,(H,9,10)
InChIKey
KCJAVQOUEOXINN-UHFFFAOYSA-N
Compound name
3-(3-ethyloxetan-3-yl)prop-2-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.06299 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.07027 125.4
[M+Na]+ 177.05221 133.3
[M-H]- 153.05571 127.5
[M+NH4]+ 172.09681 138.5
[M+K]+ 193.02615 136.0
[M+H-H2O]+ 137.06025 111.6
[M+HCOO]- 199.06119 139.7
[M+CH3COO]- 213.07684 183.4
[M+Na-2H]- 175.03766 131.5
[M]+ 154.06244 128.6
[M]- 154.06354 128.6
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.