CID 10921447

6-phosphonohexanoic acid

Structural Information

Molecular Formula
C6H13O5P
SMILES
C(CCC(=O)O)CCP(=O)(O)O
InChI
InChI=1S/C6H13O5P/c7-6(8)4-2-1-3-5-12(9,10)11/h1-5H2,(H,7,8)(H2,9,10,11)
InChIKey
SYFTUNQVCGSBOV-UHFFFAOYSA-N
Compound name
6-phosphonohexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

320
Patents

196.05006 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.05734 144.7
[M+Na]+ 219.03928 150.6
[M-H]- 195.04278 139.6
[M+NH4]+ 214.08388 162.4
[M+K]+ 235.01322 149.5
[M+H-H2O]+ 179.04732 138.3
[M+HCOO]- 241.04826 168.0
[M+CH3COO]- 255.06391 175.8
[M+Na-2H]- 217.02473 146.3
[M]+ 196.04951 146.5
[M]- 196.05061 146.5
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