CID 81698176

2228299-91-8

Structural Information

Molecular Formula
C8H10O3
SMILES
C#CCC1(CC(C1)C(=O)O)O
InChI
InChI=1S/C8H10O3/c1-2-3-8(11)4-6(5-8)7(9)10/h1,6,11H,3-5H2,(H,9,10)
InChIKey
XVMBCQLCVZNDLL-UHFFFAOYSA-N
Compound name
3-hydroxy-3-prop-2-ynylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.06299 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.07027 130.4
[M+Na]+ 177.05221 138.5
[M-H]- 153.05571 131.1
[M+NH4]+ 172.09681 144.0
[M+K]+ 193.02615 139.4
[M+H-H2O]+ 137.06025 117.2
[M+HCOO]- 199.06119 144.0
[M+CH3COO]- 213.07684 183.4
[M+Na-2H]- 175.03766 134.1
[M]+ 154.06244 131.8
[M]- 154.06354 131.8
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.