CID 165898616

En300-27782994

Structural Information

Molecular Formula
C13H20N2O5
SMILES
CC(C)(C)OC(=O)N1CC(C1)C(=O)N2CC(C2)C(=O)O
InChI
InChI=1S/C13H20N2O5/c1-13(2,3)20-12(19)15-4-8(5-15)10(16)14-6-9(7-14)11(17)18/h8-9H,4-7H2,1-3H3,(H,17,18)
InChIKey
HCVOORLKHGVHDE-UHFFFAOYSA-N
Compound name
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carbonyl]azetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.1372 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.14448 165.0
[M+Na]+ 307.12642 166.0
[M-H]- 283.12992 166.4
[M+NH4]+ 302.17102 164.1
[M+K]+ 323.10036 172.0
[M+H-H2O]+ 267.13446 147.9
[M+HCOO]- 329.13540 175.0
[M+CH3COO]- 343.15105 208.1
[M+Na-2H]- 305.11187 162.7
[M]+ 284.13665 180.7
[M]- 284.13775 180.7
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.