CID 53482075

(3s,4s)-(4-hydroxy-pyrrolidin-3-yl)-carbamic acid tert-butyl ester

Structural Information

Molecular Formula
C9H18N2O3
SMILES
CC(C)(C)OC(=O)N[C@H]1CNC[C@@H]1O
InChI
InChI=1S/C9H18N2O3/c1-9(2,3)14-8(13)11-6-4-10-5-7(6)12/h6-7,10,12H,4-5H2,1-3H3,(H,11,13)/t6-,7-/m0/s1
InChIKey
QAZVTJCOYJOJGO-BQBZGAKWSA-N
Compound name
tert-butyl N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

202.13174 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.13902 147.7
[M+Na]+ 225.12096 152.5
[M-H]- 201.12446 146.9
[M+NH4]+ 220.16556 165.7
[M+K]+ 241.09490 151.3
[M+H-H2O]+ 185.12900 142.1
[M+HCOO]- 247.12994 165.0
[M+CH3COO]- 261.14559 180.2
[M+Na-2H]- 223.10641 150.0
[M]+ 202.13119 143.9
[M]- 202.13229 143.9
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

patents stripe