CID 162341758

2384947-83-3

Structural Information

Molecular Formula
C11H19NO4
SMILES
CC1(CC(N1C(=O)OC(C)(C)C)C(=O)O)C
InChI
InChI=1S/C11H19NO4/c1-10(2,3)16-9(15)12-7(8(13)14)6-11(12,4)5/h7H,6H2,1-5H3,(H,13,14)
InChIKey
CAXNMYAPGZFSIG-UHFFFAOYSA-N
Compound name
4,4-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.13141 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.138686 154.3
[M+Na]+ 252.120628 160.0
[M-H]- 228.124134 155.5
[M+NH4]+ 247.165233 166.3
[M+K]+ 268.094568 163.1
[M+H-H2O]+ 212.128670 145.3
[M+HCOO]- 274.129611 169.6
[M+CH3COO]- 288.145261 191.6
[M+Na-2H]- 250.106076 156.2
[M]+ 229.13086142 165.1
[M]- 229.13195858 165.1
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.