CID 11607928

328239-96-9

Structural Information

Molecular Formula

C₇H₁₀O₃

SMILES

COC(=O)C1=CCCC1O

InChI

InChI=1S/C7H10O3/c1-10-7(9)5-3-2-4-6(5)8/h3,6,8H,2,4H2,1H3

InChIKey

HGGXZPWLTPCQGR-UHFFFAOYSA-N

Compound name

methyl 5-hydroxycyclopentene-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 142.06299 Da
Monoisotopic Mass: 0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	143.07027	127.9
[M+Na]+	165.05221	135.5
[M-H]-	141.05571	130.4
[M+NH4]+	160.09681	150.6
[M+K]+	181.02615	135.0
[M+H-H2O]+	125.06025	123.3
[M+HCOO]-	187.06119	150.7
[M+CH3COO]-	201.07684	169.5
[M+Na-2H]-	163.03766	131.5
[M]+	142.06244	127.7
[M]-	142.06354	127.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe