CID 44572657

928054-33-5

Structural Information

Molecular Formula

C₁₀H₁₃N

SMILES

C1[C@@H]([C@H]1C2=CC=CC=C2)CN

InChI

InChI=1S/C10H13N/c11-7-9-6-10(9)8-4-2-1-3-5-8/h1-5,9-10H,6-7,11H2/t9-,10-/m1/s1

InChIKey

ATTLDOZXPZCOGK-NXEZZACHSA-N

Compound name

[(1S,2S)-2-phenylcyclopropyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 147.1048 Da
Monoisotopic Mass: 1.7
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	127.3
[M+Na]+	170.094018	136.4
[M-H]-	146.097524	134.7
[M+NH4]+	165.138623	143.6
[M+K]+	186.067958	133.1
[M+H-H2O]+	130.102060	121.0
[M+HCOO]-	192.103001	152.6
[M+CH3COO]-	206.118651	181.5
[M+Na-2H]-	168.079466	134.5
[M]+	147.10425142	127.5
[M]-	147.10534858	127.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe