CID 45090007

169899-49-4

Structural Information

Molecular Formula
C7H12O3
SMILES
CC1(CC(C1)O)C(=O)OC
InChI
InChI=1S/C7H12O3/c1-7(6(9)10-2)3-5(8)4-7/h5,8H,3-4H2,1-2H3
InChIKey
KFLCCZPFOPDGLN-UHFFFAOYSA-N
Compound name
methyl 3-hydroxy-1-methylcyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

144.07864 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.08592 129.0
[M+Na]+ 167.06786 135.3
[M-H]- 143.07136 131.7
[M+NH4]+ 162.11246 145.4
[M+K]+ 183.04180 138.3
[M+H-H2O]+ 127.07590 120.8
[M+HCOO]- 189.07684 149.1
[M+CH3COO]- 203.09249 175.1
[M+Na-2H]- 165.05331 134.0
[M]+ 144.07809 138.1
[M]- 144.07919 138.1
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