CID 5310935

Chembl113308

Structural Information

Molecular Formula
C10H22NO3P
SMILES
C1CCC(CC1)CP(=O)(C[C@@H](CN)O)O
InChI
InChI=1S/C10H22NO3P/c11-6-10(12)8-15(13,14)7-9-4-2-1-3-5-9/h9-10,12H,1-8,11H2,(H,13,14)/t10-/m1/s1
InChIKey
SAPDSGPBMRLHFV-SNVBAGLBSA-N
Compound name
[(2R)-3-amino-2-hydroxypropyl]-(cyclohexylmethyl)phosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

42
Patents

235.13373 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.14101 158.5
[M+Na]+ 258.12295 160.3
[M-H]- 234.12645 156.1
[M+NH4]+ 253.16755 174.3
[M+K]+ 274.09689 158.4
[M+H-H2O]+ 218.13099 150.6
[M+HCOO]- 280.13193 179.0
[M+CH3COO]- 294.14758 188.2
[M+Na-2H]- 256.10840 157.2
[M]+ 235.13318 152.8
[M]- 235.13428 152.8
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