CID 21727417

84348-38-9

Structural Information

Molecular Formula
C11H17NO4
SMILES
CC(C)(C)OC(=O)N1CC(=C)C[C@H]1C(=O)O
InChI
InChI=1S/C11H17NO4/c1-7-5-8(9(13)14)12(6-7)10(15)16-11(2,3)4/h8H,1,5-6H2,2-4H3,(H,13,14)/t8-/m0/s1
InChIKey
ULLGRIBXGPATMA-QMMMGPOBSA-N
Compound name
(2S)-4-methylidene-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

370
Patents

227.11575 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.12303 151.9
[M+Na]+ 250.10497 158.7
[M+NH4]+ 245.14957 156.5
[M+K]+ 266.07891 158.6
[M-H]- 226.10847 148.7
[M+Na-2H]- 248.09042 152.0
[M]+ 227.11520 151.4
[M]- 227.11630 151.4
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