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

63
Patents

140.08372 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.090996 130.6
[M+Na]+ 163.072938 136.0
[M-H]- 139.076444 132.9
[M+NH4]+ 158.117543 146.8
[M+K]+ 179.046878 137.5
[M+H-H2O]+ 123.080980 122.1
[M+HCOO]- 185.081921 150.4
[M+CH3COO]- 199.097571 174.7
[M+Na-2H]- 161.058386 135.6
[M]+ 140.08317142 137.6
[M]- 140.08426858 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