CID 122163451

1-[(tert-butoxy)carbonyl]-5-cyclopropylpyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C13H21NO4
SMILES
CC(C)(C)OC(=O)N1C(CCC1C(=O)O)C2CC2
InChI
InChI=1S/C13H21NO4/c1-13(2,3)18-12(17)14-9(8-4-5-8)6-7-10(14)11(15)16/h8-10H,4-7H2,1-3H3,(H,15,16)
InChIKey
ZVUAUTKZKOZPQQ-UHFFFAOYSA-N
Compound name
5-cyclopropyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.14706 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.154336 159.4
[M+Na]+ 278.136278 166.7
[M-H]- 254.139784 164.0
[M+NH4]+ 273.180883 171.6
[M+K]+ 294.110218 163.8
[M+H-H2O]+ 238.144320 153.8
[M+HCOO]- 300.145261 175.6
[M+CH3COO]- 314.160911 194.4
[M+Na-2H]- 276.121726 158.9
[M]+ 255.14651142 161.8
[M]- 255.14760858 161.8
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

No patent data available for this compound.