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 162.1
[M+Na]+ 293.14718 163.6
[M-H]- 269.15068 163.6
[M+NH4]+ 288.19178 162.1
[M+K]+ 309.12112 168.9
[M+H-H2O]+ 253.15522 145.3
[M+HCOO]- 315.15616 172.8
[M+CH3COO]- 329.17181 206.6
[M+Na-2H]- 291.13263 161.0
[M]+ 270.15741 178.0
[M]- 270.15851 178.0
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.