CID 13972201

131900-21-5

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

COC1=CC=CC=C1[C@@H]2C[C@H]2N

InChI

InChI=1S/C10H13NO/c1-12-10-5-3-2-4-7(10)8-6-9(8)11/h2-5,8-9H,6,11H2,1H3/t8-,9+/m0/s1

InChIKey

DHHVOLWFZZZOCA-DTWKUNHWSA-N

Compound name

(1R,2S)-2-(2-methoxyphenyl)cyclopropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 163.09972 Da
Monoisotopic Mass: 1.2
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]+	164.10700	131.2
[M+Na]+	186.08894	141.1
[M-H]-	162.09244	138.9
[M+NH4]+	181.13354	147.1
[M+K]+	202.06288	138.1
[M+H-H2O]+	146.09698	124.9
[M+HCOO]-	208.09792	156.6
[M+CH3COO]-	222.11357	184.5
[M+Na-2H]-	184.07439	137.5
[M]+	163.09917	133.2
[M]-	163.10027	133.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe