CID 1859591

Brn 4803005

Structural Information

Molecular Formula
C10H19NO4
SMILES
C[C@@]1(CCOC[C@@H]1NCCCC(=O)O)O
InChI
InChI=1S/C10H19NO4/c1-10(14)4-6-15-7-8(10)11-5-2-3-9(12)13/h8,11,14H,2-7H2,1H3,(H,12,13)/t8-,10-/m0/s1
InChIKey
NBOLXVCIEVHCDF-WPRPVWTQSA-N
Compound name
4-[[(3S,4S)-4-hydroxy-4-methyloxan-3-yl]amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.13141 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.13869 149.6
[M+Na]+ 240.12063 156.8
[M+NH4]+ 235.16523 156.8
[M+K]+ 256.09457 151.7
[M-H]- 216.12413 150.3
[M+Na-2H]- 238.10608 152.4
[M]+ 217.13086 150.4
[M]- 217.13196 150.4
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.