CID 7019053

Tert-butyl (s)-2-carbamoylpyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C10H18N2O3
SMILES
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N
InChI
InChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)12-6-4-5-7(12)8(11)13/h7H,4-6H2,1-3H3,(H2,11,13)/t7-/m0/s1
InChIKey
PITJAAIPVBVRAO-ZETCQYMHSA-N
Compound name
tert-butyl (2S)-2-carbamoylpyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

453
Patents

214.13174 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.13902 150.0
[M+Na]+ 237.12096 155.4
[M-H]- 213.12446 151.5
[M+NH4]+ 232.16556 168.6
[M+K]+ 253.09490 155.2
[M+H-H2O]+ 197.12900 144.1
[M+HCOO]- 259.12994 168.6
[M+CH3COO]- 273.14559 187.5
[M+Na-2H]- 235.10641 150.6
[M]+ 214.13119 148.1
[M]- 214.13229 148.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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