CID 165727781

1719-08-0

Structural Information

Molecular Formula

C₁₀H₁₄O₃

SMILES

COC(=O)C[C@@H]1C[C@H]2C[C@@H]1C(=O)C2

InChI

InChI=1S/C10H14O3/c1-13-10(12)5-7-2-6-3-8(7)9(11)4-6/h6-8H,2-5H2,1H3/t6-,7-,8-/m0/s1

InChIKey

UVMWSVVWBSMFTD-FXQIFTODSA-N

Compound name

methyl 2-[(1S,2S,4S)-6-oxo-2-bicyclo[2.2.1]heptanyl]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 182.0943 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]+	183.101576	141.2
[M+Na]+	205.083518	148.7
[M-H]-	181.087024	144.1
[M+NH4]+	200.128123	166.4
[M+K]+	221.057458	147.4
[M+H-H2O]+	165.091560	137.4
[M+HCOO]-	227.092501	162.1
[M+CH3COO]-	241.108151	181.3
[M+Na-2H]-	203.068966	142.8
[M]+	182.09375142	142.2
[M]-	182.09484858	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.