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

118
Patents

144.07864 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.08592 130.3
[M+Na]+ 167.06786 136.9
[M-H]- 143.07136 132.4
[M+NH4]+ 162.11246 154.5
[M+K]+ 183.04180 136.7
[M+H-H2O]+ 127.07590 126.4
[M+HCOO]- 189.07684 151.6
[M+CH3COO]- 203.09249 168.4
[M+Na-2H]- 165.05331 134.8
[M]+ 144.07809 128.6
[M]- 144.07919 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