CID 117979304

(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-IUYQGCFVSA-N
Compound name
(3R,5S)-3-amino-5-(hydroxymethyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.