CID 85435879

2445791-82-0

Structural Information

Molecular Formula
C13H23NO5
SMILES
CC1(CC(CN1C(=O)OC(C)(C)C)C(=O)O)COC
InChI
InChI=1S/C13H23NO5/c1-12(2,3)19-11(17)14-7-9(10(15)16)6-13(14,4)8-18-5/h9H,6-8H2,1-5H3,(H,15,16)
InChIKey
LRBXOOFTCQPISS-UHFFFAOYSA-N
Compound name
5-(methoxymethyl)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.15762 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.164896 161.8
[M+Na]+ 296.146838 168.0
[M-H]- 272.150344 162.6
[M+NH4]+ 291.191443 180.2
[M+K]+ 312.120778 168.1
[M+H-H2O]+ 256.154880 157.7
[M+HCOO]- 318.155821 178.0
[M+CH3COO]- 332.171471 194.7
[M+Na-2H]- 294.132286 162.6
[M]+ 273.15707142 164.7
[M]- 273.15816858 164.7
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.