CID 66260582

1567866-17-4

Structural Information

Molecular Formula
C10H18N2O3
SMILES
CC(=O)NCCC(=O)N1CCC[C@H]1CO
InChI
InChI=1S/C10H18N2O3/c1-8(14)11-5-4-10(15)12-6-2-3-9(12)7-13/h9,13H,2-7H2,1H3,(H,11,14)/t9-/m0/s1
InChIKey
PZWABQHORAPCEB-VIFPVBQESA-N
Compound name
N-[3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.13174 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.13902 150.7
[M+Na]+ 237.12096 155.1
[M-H]- 213.12446 150.9
[M+NH4]+ 232.16556 168.6
[M+K]+ 253.09490 153.9
[M+H-H2O]+ 197.12900 144.1
[M+HCOO]- 259.12994 170.0
[M+CH3COO]- 273.14559 186.0
[M+Na-2H]- 235.10641 150.8
[M]+ 214.13119 148.4
[M]- 214.13229 148.4
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.