CID 137952076

2149185-87-3

Structural Information

Molecular Formula
C14H23NO5
SMILES
CC(C)(C)OC(=O)N1CCC(C1)(COCC=C)C(=O)O
InChI
InChI=1S/C14H23NO5/c1-5-8-19-10-14(11(16)17)6-7-15(9-14)12(18)20-13(2,3)4/h5H,1,6-10H2,2-4H3,(H,16,17)
InChIKey
LFGVPASIMFBWTH-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(prop-2-enoxymethyl)pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.15762 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.164896 166.4
[M+Na]+ 308.146838 171.6
[M-H]- 284.150344 166.7
[M+NH4]+ 303.191443 183.9
[M+K]+ 324.120778 170.8
[M+H-H2O]+ 268.154880 161.8
[M+HCOO]- 330.155821 182.5
[M+CH3COO]- 344.171471 195.5
[M+Na-2H]- 306.132286 167.3
[M]+ 285.15707142 168.6
[M]- 285.15816858 168.6
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.