CID 167717504

2919955-31-8

Structural Information

Molecular Formula
C11H20N2O4
SMILES
CC(C)(C)OC(=O)N(C)C1(CNC1)C(=O)OC
InChI
InChI=1S/C11H20N2O4/c1-10(2,3)17-9(15)13(4)11(6-12-7-11)8(14)16-5/h12H,6-7H2,1-5H3
InChIKey
CQSLNSICKBRWLI-UHFFFAOYSA-N
Compound name
methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]azetidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.1423 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.149576 161.1
[M+Na]+ 267.131518 164.1
[M-H]- 243.135024 162.8
[M+NH4]+ 262.176123 172.1
[M+K]+ 283.105458 168.7
[M+H-H2O]+ 227.139560 150.5
[M+HCOO]- 289.140501 177.8
[M+CH3COO]- 303.156151 196.8
[M+Na-2H]- 265.116966 163.5
[M]+ 244.14175142 171.3
[M]- 244.14284858 171.3
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.