CID 95962

N-benzylideneisopropylamine

Structural Information

Molecular Formula

C₁₀H₁₃N

SMILES

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

InChI

InChI=1S/C10H13N/c1-9(2)11-8-10-6-4-3-5-7-10/h3-9H,1-2H3

InChIKey

GVDZNWFGNHAZCX-UHFFFAOYSA-N

Compound name

1-phenyl-N-propan-2-ylmethanimine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 103
Patents: 147.1048 Da
Monoisotopic Mass: 2.3
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	131.3
[M+Na]+	170.094018	138.0
[M-H]-	146.097524	136.2
[M+NH4]+	165.138623	153.1
[M+K]+	186.067958	136.7
[M+H-H2O]+	130.102060	125.2
[M+HCOO]-	192.103001	157.3
[M+CH3COO]-	206.118651	181.2
[M+Na-2H]-	168.079466	138.6
[M]+	147.10425142	131.3
[M]-	147.10534858	131.3

Literature stripe

literature stripe

Patent stripe

patents stripe