CID 6481636

2-phosphonononanoic acid

Structural Information

Molecular Formula
C9H19O5P
SMILES
CCCCCCCC(C(=O)O)P(=O)(O)O
InChI
InChI=1S/C9H19O5P/c1-2-3-4-5-6-7-8(9(10)11)15(12,13)14/h8H,2-7H2,1H3,(H,10,11)(H2,12,13,14)
InChIKey
WCQQCOJNXGNEPW-UHFFFAOYSA-N
Compound name
2-phosphonononanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

238.09702 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.10430 158.7
[M+Na]+ 261.08624 163.2
[M-H]- 237.08974 153.1
[M+NH4]+ 256.13084 174.7
[M+K]+ 277.06018 161.9
[M+H-H2O]+ 221.09428 151.9
[M+HCOO]- 283.09522 180.0
[M+CH3COO]- 297.11087 185.7
[M+Na-2H]- 259.07169 157.5
[M]+ 238.09647 161.0
[M]- 238.09757 161.0
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