CID 138911161

Chebi:144620

Structural Information

Molecular Formula
C9H21N2O6P
SMILES
C(CCN)CCNCC(=O)[C@@H](CO)OP(=O)(O)O
InChI
InChI=1S/C9H21N2O6P/c10-4-2-1-3-5-11-6-8(13)9(7-12)17-18(14,15)16/h9,11-12H,1-7,10H2,(H2,14,15,16)/t9-/m1/s1
InChIKey
BVHCVVNNNQYJRV-SECBINFHSA-N
Compound name
[(2R)-4-(5-aminopentylamino)-1-hydroxy-3-oxobutan-2-yl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.1137 Da
Monoisotopic Mass

-5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.12098 165.8
[M+Na]+ 307.10292 168.0
[M-H]- 283.10642 159.4
[M+NH4]+ 302.14752 178.5
[M+K]+ 323.07686 167.3
[M+H-H2O]+ 267.11096 157.4
[M+HCOO]- 329.11190 188.6
[M+CH3COO]- 343.12755 198.3
[M+Na-2H]- 305.08837 164.6
[M]+ 284.11315 166.5
[M]- 284.11425 166.5
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.