CID 43146547

1228880-11-2

Structural Information

Molecular Formula

C₁₁H₁₅N

SMILES

CC1=CC=CC=C1C2(CCC2)N

InChI

InChI=1S/C11H15N/c1-9-5-2-3-6-10(9)11(12)7-4-8-11/h2-3,5-6H,4,7-8,12H2,1H3

InChIKey

GJIABTCSJNIWOX-UHFFFAOYSA-N

Compound name

1-(2-methylphenyl)cyclobutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 161.12045 Da
Monoisotopic Mass: 1.8
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]+	162.127726	135.1
[M+Na]+	184.109668	141.3
[M-H]-	160.113174	141.5
[M+NH4]+	179.154273	151.0
[M+K]+	200.083608	141.6
[M+H-H2O]+	144.117710	124.6
[M+HCOO]-	206.118651	157.7
[M+CH3COO]-	220.134301	183.7
[M+Na-2H]-	182.095116	141.4
[M]+	161.11990142	140.5
[M]-	161.12099858	140.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe