CID 68667437

1356600-10-6

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

COC(=O)[C@@H]1C[C@H]1C2=CC=C(C=C2)N

InChI

InChI=1S/C11H13NO2/c1-14-11(13)10-6-9(10)7-2-4-8(12)5-3-7/h2-5,9-10H,6,12H2,1H3/t9-,10+/m0/s1

InChIKey

ABLMNIKWSKUYMA-VHSXEESVSA-N

Compound name

trans-methyl (1R,2R)-2-(4-aminophenyl)cyclopropane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 191.09464 Da
Monoisotopic Mass: 1.3
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]+	192.101916	138.4
[M+Na]+	214.083858	147.9
[M-H]-	190.087364	146.0
[M+NH4]+	209.128463	153.0
[M+K]+	230.057798	144.8
[M+H-H2O]+	174.091900	132.0
[M+HCOO]-	236.092841	162.9
[M+CH3COO]-	250.108491	188.8
[M+Na-2H]-	212.069306	142.9
[M]+	191.09409142	140.8
[M]-	191.09518858	140.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe