CID 68647170

913744-64-6

Structural Information

Molecular Formula
C13H21NO4
SMILES
CC(C)(C)OC(=O)N1CC(C(C1)C(=O)O)C2CC2
InChI
InChI=1S/C13H21NO4/c1-13(2,3)18-12(17)14-6-9(8-4-5-8)10(7-14)11(15)16/h8-10H,4-7H2,1-3H3,(H,15,16)
InChIKey
XTVNSJSQUVHEML-UHFFFAOYSA-N
Compound name
4-cyclopropyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

255.14706 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.15434 160.9
[M+Na]+ 278.13628 169.4
[M+NH4]+ 273.18088 166.8
[M+K]+ 294.11022 169.9
[M-H]- 254.13978 166.6
[M+Na-2H]- 276.12173 164.6
[M]+ 255.14651 164.4
[M]- 255.14761 164.4
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