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

10
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 159.4
[M+Na]+ 278.13628 166.7
[M-H]- 254.13978 164.0
[M+NH4]+ 273.18088 171.6
[M+K]+ 294.11022 163.8
[M+H-H2O]+ 238.14432 153.8
[M+HCOO]- 300.14526 175.6
[M+CH3COO]- 314.16091 194.4
[M+Na-2H]- 276.12173 158.9
[M]+ 255.14651 161.8
[M]- 255.14761 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

patents stripe