CID 119189

Ym 175

Structural Information

Molecular Formula

C₉H₂₀O₆P₂

SMILES

C1CCCC(CC1)CC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C9H20O6P2/c10-16(11,12)9(17(13,14)15)7-8-5-3-1-2-4-6-8/h8-9H,1-7H2,(H2,10,11,12)(H2,13,14,15)

InChIKey

FMNUNEUCOLPWMO-UHFFFAOYSA-N

Compound name

(2-cycloheptyl-1-phosphonoethyl)phosphonic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 96
References: 832
Patents: 286.07352 Da
Monoisotopic Mass: 0.4
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]+	287.08080	161.8
[M+Na]+	309.06274	161.8
[M-H]-	285.06624	157.9
[M+NH4]+	304.10734	173.9
[M+K]+	325.03668	166.0
[M+H-H2O]+	269.07078	153.3
[M+HCOO]-	331.07172	182.6
[M+CH3COO]-	345.08737	190.7
[M+Na-2H]-	307.04819	160.4
[M]+	286.07297	155.1
[M]-	286.07407	155.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe