CID 13102401

83623-61-4

Structural Information

Molecular Formula
C12H17O4P
SMILES
C1=CC=C(C=C1)CCCCP(=O)(CC(=O)O)O
InChI
InChI=1S/C12H17O4P/c13-12(14)10-17(15,16)9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H,13,14)(H,15,16)
InChIKey
WRXLMKMDSUIHDK-UHFFFAOYSA-N
Compound name
2-[hydroxy(4-phenylbutyl)phosphoryl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

256.08646 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.09374 158.9
[M+Na]+ 279.07568 167.8
[M+NH4]+ 274.12028 164.1
[M+K]+ 295.04962 163.7
[M-H]- 255.07918 157.3
[M+Na-2H]- 277.06113 162.1
[M]+ 256.08591 159.3
[M]- 256.08701 159.3
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

patents stripe