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]+ 193.135186 149.9
[M+Na]+ 215.117128 156.1
[M-H]- 191.120634 148.8
[M+NH4]+ 210.161733 170.5
[M+K]+ 231.091068 156.0
[M+H-H2O]+ 175.125170 143.2
[M+HCOO]- 237.126111 176.0
[M+CH3COO]- 251.141761 187.5
[M+Na-2H]- 213.102576 151.2
[M]+ 192.12736142 155.3
[M]- 192.12845858 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.