CID 244662

Methyl 1-hydroxycyclopentane-1-carboxylate

Structural Information

Molecular Formula
C7H12O3
SMILES
COC(=O)C1(CCCC1)O
InChI
InChI=1S/C7H12O3/c1-10-6(8)7(9)4-2-3-5-7/h9H,2-5H2,1H3
InChIKey
APSCDNXUQLGQJS-UHFFFAOYSA-N
Compound name
methyl 1-hydroxycyclopentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
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 130.3
[M+Na]+ 167.067858 136.9
[M-H]- 143.071364 132.4
[M+NH4]+ 162.112463 154.5
[M+K]+ 183.041798 136.7
[M+H-H2O]+ 127.075900 126.4
[M+HCOO]- 189.076841 151.6
[M+CH3COO]- 203.092491 168.4
[M+Na-2H]- 165.053306 134.8
[M]+ 144.07809142 128.6
[M]- 144.07918858 128.6
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