CID 165439036

1824013-13-9

Structural Information

Molecular Formula
C13H22N2O4
SMILES
CC(C)(C)OC(=O)N1CC(C1)CN2CC(C2)C(=O)O
InChI
InChI=1S/C13H22N2O4/c1-13(2,3)19-12(18)15-5-9(6-15)4-14-7-10(8-14)11(16)17/h9-10H,4-8H2,1-3H3,(H,16,17)
InChIKey
BRSMODUXAVZEIW-UHFFFAOYSA-N
Compound name
1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methyl]azetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.15796 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.16524 173.1
[M+Na]+ 293.14718 171.6
[M+NH4]+ 288.19178 169.6
[M+K]+ 309.12112 172.7
[M-H]- 269.15068 166.0
[M+Na-2H]- 291.13263 168.7
[M]+ 270.15741 168.2
[M]- 270.15851 168.2
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.