CID 14556195

Chppt

Structural Information

Molecular Formula
C8H16NO4P
SMILES
CP(=O)(C1CCCC(C1)(C(=O)O)N)O
InChI
InChI=1S/C8H16NO4P/c1-14(12,13)6-3-2-4-8(9,5-6)7(10)11/h6H,2-5,9H2,1H3,(H,10,11)(H,12,13)
InChIKey
ZAIBDODFHKWMIG-UHFFFAOYSA-N
Compound name
1-amino-3-[hydroxy(methyl)phosphoryl]cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.0817 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.08898 149.0
[M+Na]+ 244.07092 153.8
[M-H]- 220.07442 147.7
[M+NH4]+ 239.11552 167.6
[M+K]+ 260.04486 152.7
[M+H-H2O]+ 204.07896 142.9
[M+HCOO]- 266.07990 170.5
[M+CH3COO]- 280.09555 184.2
[M+Na-2H]- 242.05637 149.9
[M]+ 221.08115 144.1
[M]- 221.08225 144.1
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.