CID 11128048

Trans-3-azido-1-boc-4-hydroxypyrrolidine

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

273
Patents

228.12224 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.12952 150.1
[M+Na]+ 251.11146 155.7
[M-H]- 227.11496 153.9
[M+NH4]+ 246.15606 168.3
[M+K]+ 267.08540 151.0
[M+H-H2O]+ 211.11950 148.3
[M+HCOO]- 273.12044 174.9
[M+CH3COO]- 287.13609 188.2
[M+Na-2H]- 249.09691 157.0
[M]+ 228.12169 147.0
[M]- 228.12279 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