CID 10911346

(2s,4r)-1-[(tert-butoxy)carbonyl]-4-methylpyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C11H19NO4
SMILES
C[C@@H]1C[C@H](N(C1)C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C11H19NO4/c1-7-5-8(9(13)14)12(6-7)10(15)16-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,13,14)/t7-,8+/m1/s1
InChIKey
MXKSXPYZNXUHEZ-SFYZADRCSA-N
Compound name
(2S,4R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

472
Patents

229.13141 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.13869 152.4
[M+Na]+ 252.12063 158.7
[M-H]- 228.12413 153.3
[M+NH4]+ 247.16523 170.6
[M+K]+ 268.09457 158.3
[M+H-H2O]+ 212.12867 147.4
[M+HCOO]- 274.12961 169.0
[M+CH3COO]- 288.14526 187.0
[M+Na-2H]- 250.10608 152.3
[M]+ 229.13086 152.7
[M]- 229.13196 152.7
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