CID 2734495

(2s)-1-[(tert-butoxy)carbonyl]azetidine-2-carboxylic acid

Structural Information

Molecular Formula

C₉H₁₅NO₄

SMILES

CC(C)(C)OC(=O)N1CC[C@H]1C(=O)O

InChI

InChI=1S/C9H15NO4/c1-9(2,3)14-8(13)10-5-4-6(10)7(11)12/h6H,4-5H2,1-3H3,(H,11,12)/t6-/m0/s1

InChIKey

JWJVSDZKYYXDDN-LURJTMIESA-N

Compound name

(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1356
Patents: 201.10011 Da
Monoisotopic Mass: 0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	202.107386	145.3
[M+Na]+	224.089328	150.1
[M-H]-	200.092834	146.1
[M+NH4]+	219.133933	156.0
[M+K]+	240.063268	153.4
[M+H-H2O]+	184.097370	134.6
[M+HCOO]-	246.098311	161.3
[M+CH3COO]-	260.113961	185.0
[M+Na-2H]-	222.074776	147.5
[M]+	201.09956142	154.6
[M]-	201.10065858	154.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe