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]+ 286.16490 166.4
[M+Na]+ 308.14684 171.6
[M-H]- 284.15034 166.7
[M+NH4]+ 303.19144 183.9
[M+K]+ 324.12078 170.8
[M+H-H2O]+ 268.15488 161.8
[M+HCOO]- 330.15582 182.5
[M+CH3COO]- 344.17147 195.5
[M+Na-2H]- 306.13229 167.3
[M]+ 285.15707 168.6
[M]- 285.15817 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.