CID 11506476

N-methyliminopropylbenzene

Structural Information

Molecular Formula

C₁₀H₁₃N

SMILES

CN=CCCC1=CC=CC=C1

InChI

InChI=1S/C10H13N/c1-11-9-5-8-10-6-3-2-4-7-10/h2-4,6-7,9H,5,8H2,1H3

InChIKey

JPRIWVANPACNHS-UHFFFAOYSA-N

Compound name

N-methyl-3-phenylpropan-1-imine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 147.1048 Da
Monoisotopic Mass: 1.5
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]+	148.112076	130.7
[M+Na]+	170.094018	137.6
[M-H]-	146.097524	135.5
[M+NH4]+	165.138623	152.5
[M+K]+	186.067958	135.9
[M+H-H2O]+	130.102060	124.5
[M+HCOO]-	192.103001	157.7
[M+CH3COO]-	206.118651	180.4
[M+Na-2H]-	168.079466	139.3
[M]+	147.10425142	131.4
[M]-	147.10534858	131.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe