CID 29893137

1082766-22-0

Structural Information

Molecular Formula
C7H12O3
SMILES
COCC1(CCC1)C(=O)O
InChI
InChI=1S/C7H12O3/c1-10-5-7(6(8)9)3-2-4-7/h2-5H2,1H3,(H,8,9)
InChIKey
RCYWGWYQQBABKC-UHFFFAOYSA-N
Compound name
1-(methoxymethyl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

144.07864 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.085916 129.6
[M+Na]+ 167.067858 134.9
[M-H]- 143.071364 131.9
[M+NH4]+ 162.112463 145.5
[M+K]+ 183.041798 137.8
[M+H-H2O]+ 127.075900 120.9
[M+HCOO]- 189.076841 149.7
[M+CH3COO]- 203.092491 174.6
[M+Na-2H]- 165.053306 135.2
[M]+ 144.07809142 138.3
[M]- 144.07918858 138.3
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