CID 155820538

(2s)-2-amino-3-hydroxy-n-(4-hydroxybutyl)propanamide hydrochloride

Structural Information

Molecular Formula
C7H16N2O3
SMILES
C(CCO)CNC(=O)[C@H](CO)N
InChI
InChI=1S/C7H16N2O3/c8-6(5-11)7(12)9-3-1-2-4-10/h6,10-11H,1-5,8H2,(H,9,12)/t6-/m0/s1
InChIKey
VEYWMGASGLLFGE-LURJTMIESA-N
Compound name
(2S)-2-amino-3-hydroxy-N-(4-hydroxybutyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.11609 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.12337 140.9
[M+Na]+ 199.10531 144.8
[M-H]- 175.10881 137.5
[M+NH4]+ 194.14991 158.5
[M+K]+ 215.07925 143.9
[M+H-H2O]+ 159.11335 135.2
[M+HCOO]- 221.11429 161.6
[M+CH3COO]- 235.12994 180.6
[M+Na-2H]- 197.09076 143.0
[M]+ 176.11554 138.1
[M]- 176.11664 138.1
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.