CID 111240

2-methyl-n-(phenylmethylene)-2-propanamine

Structural Information

Molecular Formula

C₁₁H₁₅N

SMILES

CC(C)(C)N=CC1=CC=CC=C1

InChI

InChI=1S/C11H15N/c1-11(2,3)12-9-10-7-5-4-6-8-10/h4-9H,1-3H3

InChIKey

KFLSWDVYGSSZRX-UHFFFAOYSA-N

Compound name

N-tert-butyl-1-phenylmethanimine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 163
Patents: 161.12045 Da
Monoisotopic Mass: 2.5
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	135.6
[M+Na]+	184.109668	142.7
[M-H]-	160.113174	140.6
[M+NH4]+	179.154273	157.1
[M+K]+	200.083608	141.1
[M+H-H2O]+	144.117710	129.9
[M+HCOO]-	206.118651	160.8
[M+CH3COO]-	220.134301	183.0
[M+Na-2H]-	182.095116	144.2
[M]+	161.11990142	136.1
[M]-	161.12099858	136.1

Literature stripe

literature stripe

Patent stripe

patents stripe