CID 29947006

1217700-03-2

Structural Information

Molecular Formula
C13H22N2O4
SMILES
CC(C)(C)OC(=O)N1CC(C1)N2CCC[C@H]2C(=O)O
InChI
InChI=1S/C13H22N2O4/c1-13(2,3)19-12(18)14-7-9(8-14)15-6-4-5-10(15)11(16)17/h9-10H,4-8H2,1-3H3,(H,16,17)/t10-/m0/s1
InChIKey
KBOAYZVPFMNCCX-JTQLQIEISA-N
Compound name
(2S)-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.15796 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.16524 166.8
[M+Na]+ 293.14718 168.7
[M+NH4]+ 288.19178 167.2
[M+K]+ 309.12112 170.4
[M-H]- 269.15068 161.9
[M+Na-2H]- 291.13263 164.5
[M]+ 270.15741 163.9
[M]- 270.15851 163.9
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.