CID 12165685

(3r,5s)-3-amino-5-(hydroxymethyl)pyrrolidin-2-one hydrochloride

Structural Information

Molecular Formula
C5H10N2O2
SMILES
C1[C@H](NC(=O)[C@H]1N)CO
InChI
InChI=1S/C5H10N2O2/c6-4-1-3(2-8)7-5(4)9/h3-4,8H,1-2,6H2,(H,7,9)/t3-,4-/m0/s1
InChIKey
WYZFWCBQXQXNDS-IMJSIDKUSA-N
Compound name
(3S,5S)-3-amino-5-(hydroxymethyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

130.07423 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.08151 126.0
[M+Na]+ 153.06345 133.2
[M-H]- 129.06695 125.2
[M+NH4]+ 148.10805 146.6
[M+K]+ 169.03739 131.0
[M+H-H2O]+ 113.07149 120.6
[M+HCOO]- 175.07243 146.3
[M+CH3COO]- 189.08808 167.2
[M+Na-2H]- 151.04890 128.8
[M]+ 130.07368 120.1
[M]- 130.07478 120.1
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

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