CID 137944428

Methyl 6-hydroxyspiro[3.3]heptane-2-carboxylate

Structural Information

Molecular Formula

C₉H₁₄O₃

SMILES

COC(=O)C1CC2(C1)CC(C2)O

InChI

InChI=1S/C9H14O3/c1-12-8(11)6-2-9(3-6)4-7(10)5-9/h6-7,10H,2-5H2,1H3

InChIKey

QMFKYDNBPCSHHQ-UHFFFAOYSA-N

Compound name

methyl 2-hydroxyspiro[3.3]heptane-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 170.0943 Da
Monoisotopic Mass: 0.6
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]+	171.101576	129.8
[M+Na]+	193.083518	133.9
[M-H]-	169.087024	134.1
[M+NH4]+	188.128123	138.3
[M+K]+	209.057458	138.7
[M+H-H2O]+	153.091560	117.3
[M+HCOO]-	215.092501	146.5
[M+CH3COO]-	229.108151	189.1
[M+Na-2H]-	191.068966	134.1
[M]+	170.09375142	145.2
[M]-	170.09484858	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe