CID 103973

1-propanol, 3,3',3''-phosphinylidynetris-

Structural Information

Molecular Formula
C9H21O4P
SMILES
C(CO)CP(=O)(CCCO)CCCO
InChI
InChI=1S/C9H21O4P/c10-4-1-7-14(13,8-2-5-11)9-3-6-12/h10-12H,1-9H2
InChIKey
SZTDSGCADFWGKM-UHFFFAOYSA-N
Compound name
3-[bis(3-hydroxypropyl)phosphoryl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

505
Patents

224.11775 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.125026 158.3
[M+Na]+ 247.106968 163.0
[M-H]- 223.110474 152.5
[M+NH4]+ 242.151573 175.1
[M+K]+ 263.080908 160.6
[M+H-H2O]+ 207.115010 151.4
[M+HCOO]- 269.115951 181.1
[M+CH3COO]- 283.131601 182.9
[M+Na-2H]- 245.092416 159.2
[M]+ 224.11720142 161.1
[M]- 224.11829858 161.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe