CID 54460225

1-(prop-2-en-1-yl)cyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C8H12O2
SMILES
C=CCC1(CCC1)C(=O)O
InChI
InChI=1S/C8H12O2/c1-2-4-8(7(9)10)5-3-6-8/h2H,1,3-6H2,(H,9,10)
InChIKey
XBCOSOXSXIPKGH-UHFFFAOYSA-N
Compound name
1-prop-2-enylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

140.08372 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 130.6
[M+Na]+ 163.07294 136.0
[M-H]- 139.07644 132.9
[M+NH4]+ 158.11754 146.8
[M+K]+ 179.04688 137.5
[M+H-H2O]+ 123.08098 122.1
[M+HCOO]- 185.08192 150.4
[M+CH3COO]- 199.09757 174.7
[M+Na-2H]- 161.05839 135.6
[M]+ 140.08317 137.6
[M]- 140.08427 137.6
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

patents stripe