CID 64713195

Tert-butyl (2s,4s)-4-hydroxypyrrolidine-2-carboxylate

Structural Information

Molecular Formula
C9H17NO3
SMILES
CC(C)(C)OC(=O)[C@@H]1C[C@@H](CN1)O
InChI
InChI=1S/C9H17NO3/c1-9(2,3)13-8(12)7-4-6(11)5-10-7/h6-7,10-11H,4-5H2,1-3H3/t6-,7-/m0/s1
InChIKey
VSLZXCDAPVPGOX-BQBZGAKWSA-N
Compound name
tert-butyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

187.12085 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.128126 144.0
[M+Na]+ 210.110068 149.8
[M-H]- 186.113574 143.2
[M+NH4]+ 205.154673 162.9
[M+K]+ 226.084008 148.5
[M+H-H2O]+ 170.118110 139.0
[M+HCOO]- 232.119051 160.3
[M+CH3COO]- 246.134701 175.7
[M+Na-2H]- 208.095516 145.9
[M]+ 187.12030142 141.1
[M]- 187.12139858 141.1
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

patents stripe