CID 43378547

1096856-98-2

Structural Information

Molecular Formula

C₁₃H₁₉N

SMILES

CC(C)(C)C1=CC=C(C=C1)C2(CC2)N

InChI

InChI=1S/C13H19N/c1-12(2,3)10-4-6-11(7-5-10)13(14)8-9-13/h4-7H,8-9,14H2,1-3H3

InChIKey

FGMYLUCDARKECM-UHFFFAOYSA-N

Compound name

1-(4-tert-butylphenyl)cyclopropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 189.15175 Da
Monoisotopic Mass: 2.8
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]+	190.159026	140.8
[M+Na]+	212.140968	149.8
[M-H]-	188.144474	148.4
[M+NH4]+	207.185573	157.6
[M+K]+	228.114908	147.3
[M+H-H2O]+	172.149010	135.8
[M+HCOO]-	234.149951	163.3
[M+CH3COO]-	248.165601	189.5
[M+Na-2H]-	210.126416	148.0
[M]+	189.15120142	142.0
[M]-	189.15229858	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe