CID 138911157

Chebi:144618

Structural Information

Molecular Formula
C10H21N2O8P
SMILES
C(CCNCC(=O)[C@@H](CO)OP(=O)(O)O)C[C@@H](C(=O)O)N
InChI
InChI=1S/C10H21N2O8P/c11-7(10(15)16)3-1-2-4-12-5-8(14)9(6-13)20-21(17,18)19/h7,9,12-13H,1-6,11H2,(H,15,16)(H2,17,18,19)/t7-,9+/m0/s1
InChIKey
GTVSYSAUQGSLRO-IONNQARKSA-N
Compound name
(2S)-2-amino-6-[[(3R)-4-hydroxy-2-oxo-3-phosphonooxybutyl]amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.10355 Da
Monoisotopic Mass

-7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.11083 172.6
[M+Na]+ 351.09277 180.7
[M-H]- 327.09627 178.3
[M+NH4]+ 346.13737 173.6
[M+K]+ 367.06671 173.8
[M+H-H2O]+ 311.10081 164.0
[M+HCOO]- 373.10175 176.6
[M+CH3COO]- 387.11740 204.9
[M+Na-2H]- 349.07822 168.7
[M]+ 328.10300 165.6
[M]- 328.10410 165.6
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.