CID 9584503

39677-96-8

Structural Information

Molecular Formula

C₁₁H₁₀N₂S

SMILES

C1=CC=C(C=C1)N/N=C/C2=CC=CS2

InChI

InChI=1S/C11H10N2S/c1-2-5-10(6-3-1)13-12-9-11-7-4-8-14-11/h1-9,13H/b12-9+

InChIKey

ROJRSTYMUAGWKC-FMIVXFBMSA-N

Compound name

N-[(E)-thiophen-2-ylmethylideneamino]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 202.05647 Da
Monoisotopic Mass: 3.6
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]+	203.063746	141.2
[M+Na]+	225.045688	149.0
[M-H]-	201.049194	149.6
[M+NH4]+	220.090293	162.6
[M+K]+	241.019628	145.2
[M+H-H2O]+	185.053730	134.1
[M+HCOO]-	247.054671	166.1
[M+CH3COO]-	261.070321	155.2
[M+Na-2H]-	223.031136	146.6
[M]+	202.05592142	142.1
[M]-	202.05701858	142.1

Literature stripe

literature stripe

Patent stripe

patents stripe