CID 53646038

1142815-95-9

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

COC1=CC=CC(=C1)[C@@H]2C[C@H]2CN

InChI

InChI=1S/C11H15NO/c1-13-10-4-2-3-8(5-10)11-6-9(11)7-12/h2-5,9,11H,6-7,12H2,1H3/t9-,11-/m0/s1

InChIKey

AJKHCYJJCNCJBK-ONGXEEELSA-N

Compound name

[(1R,2R)-2-(3-methoxyphenyl)cyclopropyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 177.11537 Da
Monoisotopic Mass: 1.4
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]+	178.12265	135.4
[M+Na]+	200.10459	145.0
[M-H]-	176.10809	143.0
[M+NH4]+	195.14919	150.8
[M+K]+	216.07853	141.7
[M+H-H2O]+	160.11263	129.0
[M+HCOO]-	222.11357	160.6
[M+CH3COO]-	236.12922	187.4
[M+Na-2H]-	198.09004	141.3
[M]+	177.11482	137.8
[M]-	177.11592	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe