CID 45095729

610791-06-5

Structural Information

Molecular Formula
C11H19NO4
SMILES
CCC1(CN(C1)C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C11H19NO4/c1-5-11(8(13)14)6-12(7-11)9(15)16-10(2,3)4/h5-7H2,1-4H3,(H,13,14)
InChIKey
JKONCKLGHQSUMN-UHFFFAOYSA-N
Compound name
3-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

229.13141 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.13869 155.2
[M+Na]+ 252.12063 160.1
[M-H]- 228.12413 156.0
[M+NH4]+ 247.16523 166.9
[M+K]+ 268.09457 163.1
[M+H-H2O]+ 212.12867 145.9
[M+HCOO]- 274.12961 170.5
[M+CH3COO]- 288.14526 190.4
[M+Na-2H]- 250.10608 157.6
[M]+ 229.13086 165.6
[M]- 229.13196 165.6
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

patents stripe