CID 11128048

143700-05-4

Structural Information

Molecular Formula
C9H16N4O3
SMILES
CC(C)(C)OC(=O)N1C[C@@H]([C@H](C1)O)N=[N+]=[N-]
InChI
InChI=1S/C9H16N4O3/c1-9(2,3)16-8(15)13-4-6(11-12-10)7(14)5-13/h6-7,14H,4-5H2,1-3H3/t6-,7-/m0/s1
InChIKey
CSWBTQKOSPXYIE-BQBZGAKWSA-N
Compound name
tert-butyl (3S,4S)-3-azido-4-hydroxypyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

228.12224 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.129516 150.1
[M+Na]+ 251.111458 155.7
[M-H]- 227.114964 153.9
[M+NH4]+ 246.156063 168.3
[M+K]+ 267.085398 151.0
[M+H-H2O]+ 211.119500 148.3
[M+HCOO]- 273.120441 174.9
[M+CH3COO]- 287.136091 188.2
[M+Na-2H]- 249.096906 157.0
[M]+ 228.12169142 147.0
[M]- 228.12278858 147.0
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