CID 11309656

(2s)-2-amino-3-hydroxy-1-(pyrrolidin-1-yl)propan-1-one hydrochloride

Structural Information

Molecular Formula
C7H14N2O2
SMILES
C1CCN(C1)C(=O)[C@H](CO)N
InChI
InChI=1S/C7H14N2O2/c8-6(5-10)7(11)9-3-1-2-4-9/h6,10H,1-5,8H2/t6-/m0/s1
InChIKey
FTQXPRXTLOMHLO-LURJTMIESA-N
Compound name
(2S)-2-amino-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

22
Patents

158.10553 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.11281 136.3
[M+Na]+ 181.09475 140.7
[M-H]- 157.09825 136.0
[M+NH4]+ 176.13935 155.9
[M+K]+ 197.06869 140.0
[M+H-H2O]+ 141.10279 129.9
[M+HCOO]- 203.10373 155.5
[M+CH3COO]- 217.11938 174.5
[M+Na-2H]- 179.08020 137.4
[M]+ 158.10498 130.8
[M]- 158.10608 130.8
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