CID 2761958

144085-23-4

Structural Information

Molecular Formula
C13H21NO4
SMILES
CC(C)(C)OC(=O)N1CCC[C@@]1(CC=C)C(=O)O
InChI
InChI=1S/C13H21NO4/c1-5-7-13(10(15)16)8-6-9-14(13)11(17)18-12(2,3)4/h5H,1,6-9H2,2-4H3,(H,15,16)/t13-/m0/s1
InChIKey
ZTMLHNDSVVOEEH-ZDUSSCGKSA-N
Compound name
(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-prop-2-enylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

255.14706 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.15434 160.2
[M+Na]+ 278.13628 166.3
[M+NH4]+ 273.18088 165.9
[M+K]+ 294.11022 163.9
[M-H]- 254.13978 156.8
[M+Na-2H]- 276.12173 161.7
[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

literature stripe

Patent stripe

patents stripe