CID 104704158

1700368-87-1

Structural Information

Molecular Formula
C13H21NO4
SMILES
CC(C)(C)OC(=O)N1CCC(C1)(C2CC2)C(=O)O
InChI
InChI=1S/C13H21NO4/c1-12(2,3)18-11(17)14-7-6-13(8-14,10(15)16)9-4-5-9/h9H,4-8H2,1-3H3,(H,15,16)
InChIKey
RHBCFKJGYYUWED-UHFFFAOYSA-N
Compound name
3-cyclopropyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.14706 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.15434 162.6
[M+Na]+ 278.13628 170.9
[M+NH4]+ 273.18088 169.9
[M+K]+ 294.11022 169.6
[M-H]- 254.13978 168.3
[M+Na-2H]- 276.12173 168.0
[M]+ 255.14651 166.3
[M]- 255.14761 166.3
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.