CID 9837960

186268-77-9

Structural Information

Molecular Formula
C13H21NO4
SMILES
CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OC
InChI
InChI=1S/C13H21NO4/c1-5-13(2,3)10(15)11(16)14-8-6-7-9(14)12(17)18-4/h9H,5-8H2,1-4H3/t9-/m0/s1
InChIKey
VLNHKSCDLQIJMI-VIFPVBQESA-N
Compound name
methyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

228
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 159.5
[M+Na]+ 278.13628 164.4
[M-H]- 254.13978 161.1
[M+NH4]+ 273.18088 176.8
[M+K]+ 294.11022 164.4
[M+H-H2O]+ 238.14432 153.8
[M+HCOO]- 300.14526 176.2
[M+CH3COO]- 314.16091 195.0
[M+Na-2H]- 276.12173 158.4
[M]+ 255.14651 160.8
[M]- 255.14761 160.8
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