CID 21727417

(2s)-1-[(tert-butoxy)carbonyl]-4-methylidenepyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C11H17NO4
SMILES
CC(C)(C)OC(=O)N1CC(=C)C[C@H]1C(=O)O
InChI
InChI=1S/C11H17NO4/c1-7-5-8(9(13)14)12(6-7)10(15)16-11(2,3)4/h8H,1,5-6H2,2-4H3,(H,13,14)/t8-/m0/s1
InChIKey
ULLGRIBXGPATMA-QMMMGPOBSA-N
Compound name
(2S)-4-methylidene-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

381
Patents

227.11575 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.12303 150.9
[M+Na]+ 250.10497 157.5
[M-H]- 226.10847 151.9
[M+NH4]+ 245.14957 169.1
[M+K]+ 266.07891 156.6
[M+H-H2O]+ 210.11301 146.0
[M+HCOO]- 272.11395 167.8
[M+CH3COO]- 286.12960 186.1
[M+Na-2H]- 248.09042 150.9
[M]+ 227.11520 150.5
[M]- 227.11630 150.5
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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