CID 39235218

131844-43-4

Structural Information

Molecular Formula

C₁₀H₁₃N

SMILES

CC1=CC=CC=C1[C@@H]2C[C@H]2N

InChI

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

InChIKey

KZEFZXPGEZBFNW-VHSXEESVSA-N

Compound name

trans-(1R,2S)-2-(2-methylphenyl)cyclopropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 147.1048 Da
Monoisotopic Mass: 1.6
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]+	148.112076	127.1
[M+Na]+	170.094018	137.1
[M-H]-	146.097524	134.9
[M+NH4]+	165.138623	143.7
[M+K]+	186.067958	133.8
[M+H-H2O]+	130.102060	121.1
[M+HCOO]-	192.103001	152.4
[M+CH3COO]-	206.118651	182.6
[M+Na-2H]-	168.079466	133.7
[M]+	147.10425142	127.8
[M]-	147.10534858	127.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe