CID 59479

Nsc97881

Structural Information

Molecular Formula

C₁₁H₁₉N₂

SMILES

CC1=C(C=C(C=C1)C[N+](C)(C)N)C

InChI

InChI=1S/C11H19N2/c1-9-5-6-11(7-10(9)2)8-13(3,4)12/h5-7H,8,12H2,1-4H3/q+1

InChIKey

UGUHFGUACBFNEX-UHFFFAOYSA-N

Compound name

amino-[(3,4-dimethylphenyl)methyl]-dimethylazanium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 179.15483 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]+	180.16211	137.7
[M+Na]+	202.14405	145.2
[M-H]-	178.14755	143.0
[M+NH4]+	197.18865	158.4
[M+K]+	218.11799	138.1
[M+H-H2O]+	162.15209	135.0
[M+HCOO]-	224.15303	162.5
[M+CH3COO]-	238.16868	184.9
[M+Na-2H]-	200.12950	146.6
[M]+	179.15428	136.3
[M]-	179.15538	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe