CID 54252462

255883-24-0

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

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

InChI

InChI=1S/C7H13NO2/c1-5(2)8-4-3-6(8)7(9)10/h5-6H,3-4H2,1-2H3,(H,9,10)/t6-/m1/s1

InChIKey

QXSMFOUJZBBPIV-ZCFIWIBFSA-N

Compound name

(2R)-1-propan-2-ylazetidine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 143.09464 Da
Monoisotopic Mass: -1.5
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]+	144.10192	132.9
[M+Na]+	166.08386	137.8
[M+NH4]+	161.12846	135.9
[M+K]+	182.05780	136.1
[M-H]-	142.08736	129.3
[M+Na-2H]-	164.06931	133.2
[M]+	143.09409	131.0
[M]-	143.09519	131.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe