CID 137964036

3-ethyl-3-methylcyclobut-1-ene-1-carboxylic acid

Structural Information

Molecular Formula
C8H12O2
SMILES
CCC1(CC(=C1)C(=O)O)C
InChI
InChI=1S/C8H12O2/c1-3-8(2)4-6(5-8)7(9)10/h4H,3,5H2,1-2H3,(H,9,10)
InChIKey
XMQJRJPCRIRXSF-UHFFFAOYSA-N
Compound name
3-ethyl-3-methylcyclobutene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.08372 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 130.0
[M+Na]+ 163.07294 136.3
[M+NH4]+ 158.11754 135.2
[M+K]+ 179.04688 131.8
[M-H]- 139.07644 127.6
[M+Na-2H]- 161.05839 133.5
[M]+ 140.08317 129.0
[M]- 140.08427 129.0
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

No patent data available for this compound.