CID 20238048

Sodium bicyclo[1.1.0]butane-1-carboxylate

Structural Information

Molecular Formula
C5H6O2
SMILES
C1C2C1(C2)C(=O)O
InChI
InChI=1S/C5H6O2/c6-4(7)5-1-3(5)2-5/h3H,1-2H2,(H,6,7)
InChIKey
BIBDVCLDAHAABR-UHFFFAOYSA-N
Compound name
bicyclo[1.1.0]butane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

98.03678 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.044056 132.4
[M+Na]+ 121.025998 141.7
[M-H]- 97.029504 137.3
[M+NH4]+ 116.070603 145.7
[M+K]+ 136.999938 141.1
[M+H-H2O]+ 81.034040 128.8
[M+HCOO]- 143.034981 150.8
[M+CH3COO]- 157.050631 179.2
[M+Na-2H]- 119.011446 138.8
[M]+ 98.03623142 137.0
[M]- 98.03732858 137.0
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

patents stripe