CID 55285162

1613473-89-4

Structural Information

Molecular Formula

C₁₀H₁₃N

SMILES

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

InChI

InChI=1S/C10H13N/c1-10(11)7-9(10)8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3/t9-,10+/m0/s1

InChIKey

MHQDTOHVMGQLTE-VHSXEESVSA-N

Compound name

(1R,2S)-1-methyl-2-phenylcyclopropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 37
Patents: 147.1048 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]+	148.11208	128.3
[M+Na]+	170.09402	138.1
[M-H]-	146.09752	136.1
[M+NH4]+	165.13862	146.5
[M+K]+	186.06796	135.8
[M+H-H2O]+	130.10206	123.0
[M+HCOO]-	192.10300	153.3
[M+CH3COO]-	206.11865	181.1
[M+Na-2H]-	168.07947	136.4
[M]+	147.10425	128.9
[M]-	147.10535	128.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe