CID 2807625

Hms2806p06

Structural Information

Molecular Formula

C₉H₁₁N₃S

SMILES

CC1=CSC(=C1C#N)N=CN(C)C

InChI

InChI=1S/C9H11N3S/c1-7-5-13-9(8(7)4-10)11-6-12(2)3/h5-6H,1-3H3

InChIKey

YVQJIPAQSHUQIQ-UHFFFAOYSA-N

Compound name

N'-(3-cyano-4-methylthiophen-2-yl)-N,N-dimethylmethanimidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 193.06737 Da
Monoisotopic Mass: 1.7
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]+	194.074646	147.3
[M+Na]+	216.056588	157.8
[M-H]-	192.060094	154.0
[M+NH4]+	211.101193	168.0
[M+K]+	232.030528	156.3
[M+H-H2O]+	176.064630	134.2
[M+HCOO]-	238.065571	167.1
[M+CH3COO]-	252.081221	204.0
[M+Na-2H]-	214.042036	148.6
[M]+	193.06682142	146.2
[M]-	193.06791858	146.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.