CID 168492215

Schembl26140246

Structural Information

Molecular Formula
C9H13O2P
SMILES
CP(=O)(C)C1=CC=CC(=C1)CO
InChI
InChI=1S/C9H13O2P/c1-12(2,11)9-5-3-4-8(6-9)7-10/h3-6,10H,7H2,1-2H3
InChIKey
CKKUAMQNKRMXTO-UHFFFAOYSA-N
Compound name
(3-dimethylphosphorylphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

184.06532 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.07260 141.2
[M+Na]+ 207.05454 149.3
[M-H]- 183.05804 142.7
[M+NH4]+ 202.09914 161.3
[M+K]+ 223.02848 147.2
[M+H-H2O]+ 167.06258 134.1
[M+HCOO]- 229.06352 168.4
[M+CH3COO]- 243.07917 180.3
[M+Na-2H]- 205.03999 145.0
[M]+ 184.06477 142.8
[M]- 184.06587 142.8
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.