CID 18979332

1-propanol, 3,3'-[(1-methylpropyl)phosphinylidene]bis-

Structural Information

Molecular Formula
C10H23O3P
SMILES
CCC(C)P(=O)(CCCO)CCCO
InChI
InChI=1S/C10H23O3P/c1-3-10(2)14(13,8-4-6-11)9-5-7-12/h10-12H,3-9H2,1-2H3
InChIKey
OLTMTZWPLUTCDV-UHFFFAOYSA-N
Compound name
3-[butan-2-yl(3-hydroxypropyl)phosphoryl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

69
Patents

222.13849 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.14577 159.8
[M+Na]+ 245.12771 164.5
[M-H]- 221.13121 155.5
[M+NH4]+ 240.17231 177.5
[M+K]+ 261.10165 162.8
[M+H-H2O]+ 205.13575 153.0
[M+HCOO]- 267.13669 182.7
[M+CH3COO]- 281.15234 187.2
[M+Na-2H]- 243.11316 159.4
[M]+ 222.13794 162.9
[M]- 222.13904 162.9
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

patents stripe