CID 79421148

1537654-52-6

Structural Information

Molecular Formula
C13H21NO4
SMILES
CC(C)(C)OC(=O)N1CCC(C1)(CC=C)C(=O)O
InChI
InChI=1S/C13H21NO4/c1-5-6-13(10(15)16)7-8-14(9-13)11(17)18-12(2,3)4/h5H,1,6-9H2,2-4H3,(H,15,16)
InChIKey
FHUDMACIXCQLGL-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxycarbonyl]-3-prop-2-enylpyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.14706 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.15434 159.4
[M+Na]+ 278.13628 165.2
[M-H]- 254.13978 159.9
[M+NH4]+ 273.18088 178.2
[M+K]+ 294.11022 164.0
[M+H-H2O]+ 238.14432 155.1
[M+HCOO]- 300.14526 175.6
[M+CH3COO]- 314.16091 190.4
[M+Na-2H]- 276.12173 160.5
[M]+ 255.14651 159.7
[M]- 255.14761 159.7
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.