CID 166000583

1-(methoxymethyl)-3-methylidenecyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C8H12O3
SMILES
COCC1(CC(=C)C1)C(=O)O
InChI
InChI=1S/C8H12O3/c1-6-3-8(4-6,5-11-2)7(9)10/h1,3-5H2,2H3,(H,9,10)
InChIKey
KDCUPVMKMJQACD-UHFFFAOYSA-N
Compound name
1-(methoxymethyl)-3-methylidenecyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.07864 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.08592 132.3
[M+Na]+ 179.06786 138.4
[M-H]- 155.07136 134.8
[M+NH4]+ 174.11246 148.0
[M+K]+ 195.04180 140.4
[M+H-H2O]+ 139.07590 123.9
[M+HCOO]- 201.07684 152.2
[M+CH3COO]- 215.09249 177.8
[M+Na-2H]- 177.05331 136.7
[M]+ 156.07809 141.0
[M]- 156.07919 141.0
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.