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

116
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

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Patent stripe

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