CID 80921

6442-10-0

Structural Information

Molecular Formula

C₁₁H₁₆N₂O

SMILES

CCN(CC)C1=CC(=C(C=C1)N=O)C

InChI

InChI=1S/C11H16N2O/c1-4-13(5-2)10-6-7-11(12-14)9(3)8-10/h6-8H,4-5H2,1-3H3

InChIKey

IXKRLNGTKXUSEI-UHFFFAOYSA-N

Compound name

N,N-diethyl-3-methyl-4-nitrosoaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 192.12627 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]+	193.13355	142.1
[M+Na]+	215.11549	149.7
[M-H]-	191.11899	148.9
[M+NH4]+	210.16009	162.9
[M+K]+	231.08943	149.4
[M+H-H2O]+	175.12353	135.2
[M+HCOO]-	237.12447	170.5
[M+CH3COO]-	251.14012	196.7
[M+Na-2H]-	213.10094	148.1
[M]+	192.12572	145.9
[M]-	192.12682	145.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe