CID 14286333

Tert-butyl ((3r,5s)-5-(hydroxymethyl)-2-oxopyrrolidin-3-yl)carbamate

Structural Information

Molecular Formula
C10H18N2O4
SMILES
CC(C)(C)OC(=O)N[C@@H]1C[C@H](NC1=O)CO
InChI
InChI=1S/C10H18N2O4/c1-10(2,3)16-9(15)12-7-4-6(5-13)11-8(7)14/h6-7,13H,4-5H2,1-3H3,(H,11,14)(H,12,15)/t6-,7+/m0/s1
InChIKey
XYBDBDPPAQAHNV-NKWVEPMBSA-N
Compound name
tert-butyl N-[(3R,5S)-5-(hydroxymethyl)-2-oxopyrrolidin-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.12666 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.13394 153.0
[M+Na]+ 253.11588 158.5
[M-H]- 229.11938 152.4
[M+NH4]+ 248.16048 170.0
[M+K]+ 269.08982 157.0
[M+H-H2O]+ 213.12392 147.5
[M+HCOO]- 275.12486 170.4
[M+CH3COO]- 289.14051 185.8
[M+Na-2H]- 251.10133 154.4
[M]+ 230.12611 150.8
[M]- 230.12721 150.8
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.