CID 103565779

1702762-67-1

Structural Information

Molecular Formula
C7H12O3
SMILES
CC1CC(C1)(C(=O)O)OC
InChI
InChI=1S/C7H12O3/c1-5-3-7(4-5,10-2)6(8)9/h5H,3-4H2,1-2H3,(H,8,9)
InChIKey
BSKLUKABMMZNPY-UHFFFAOYSA-N
Compound name
1-methoxy-3-methylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

144.07864 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.085916 128.8
[M+Na]+ 167.067858 135.1
[M-H]- 143.071364 131.5
[M+NH4]+ 162.112463 145.1
[M+K]+ 183.041798 138.0
[M+H-H2O]+ 127.075900 120.6
[M+HCOO]- 189.076841 148.9
[M+CH3COO]- 203.092491 175.8
[M+Na-2H]- 165.053306 133.8
[M]+ 144.07809142 138.0
[M]- 144.07918858 138.0
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