CID 212078

Phosphinic acid, dipropyl-, isopropyl ester

Structural Information

Molecular Formula
C9H21O2P
SMILES
CCCP(=O)(CCC)OC(C)C
InChI
InChI=1S/C9H21O2P/c1-5-7-12(10,8-6-2)11-9(3)4/h9H,5-8H2,1-4H3
InChIKey
WERONCNJUJJFEN-UHFFFAOYSA-N
Compound name
1-[propan-2-yloxy(propyl)phosphoryl]propane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.12791 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.13519 149.9
[M+Na]+ 215.11713 156.1
[M-H]- 191.12063 148.8
[M+NH4]+ 210.16173 170.5
[M+K]+ 231.09107 156.0
[M+H-H2O]+ 175.12517 143.2
[M+HCOO]- 237.12611 176.0
[M+CH3COO]- 251.14176 187.5
[M+Na-2H]- 213.10258 151.2
[M]+ 192.12736 155.3
[M]- 192.12846 155.3
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

No patent data available for this compound.