CID 41097301

(r)-1-(tert-butoxycarbonyl)-2-methylpyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C11H19NO4
SMILES
C[C@@]1(CCCN1C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C11H19NO4/c1-10(2,3)16-9(15)12-7-5-6-11(12,4)8(13)14/h5-7H2,1-4H3,(H,13,14)/t11-/m1/s1
InChIKey
YQXRKJHVAUKXRN-LLVKDONJSA-N
Compound name
(2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

616
Patents

229.13141 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.13869 151.7
[M+Na]+ 252.12063 158.0
[M-H]- 228.12413 152.5
[M+NH4]+ 247.16523 171.6
[M+K]+ 268.09457 157.9
[M+H-H2O]+ 212.12867 147.6
[M+HCOO]- 274.12961 168.4
[M+CH3COO]- 288.14526 185.3
[M+Na-2H]- 250.10608 153.7
[M]+ 229.13086 152.0
[M]- 229.13196 152.0
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

patents stripe