CID 12094910

(2s,4s)-4-azido-1-[(tert-butoxy)carbonyl]pyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C10H16N4O4
SMILES
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)O)N=[N+]=[N-]
InChI
InChI=1S/C10H16N4O4/c1-10(2,3)18-9(17)14-5-6(12-13-11)4-7(14)8(15)16/h6-7H,4-5H2,1-3H3,(H,15,16)/t6-,7-/m0/s1
InChIKey
JZEOWBJXFSZTJU-BQBZGAKWSA-N
Compound name
(2S,4S)-4-azido-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

126
Patents

256.11716 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.12444 155.9
[M+Na]+ 279.10638 160.9
[M-H]- 255.10988 159.6
[M+NH4]+ 274.15098 172.7
[M+K]+ 295.08032 156.4
[M+H-H2O]+ 239.11442 154.0
[M+HCOO]- 301.11536 179.7
[M+CH3COO]- 315.13101 193.0
[M+Na-2H]- 277.09183 161.5
[M]+ 256.11661 153.2
[M]- 256.11771 153.2
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.