CID 351685

116252-53-0

Structural Information

Molecular Formula

C₆H₁₁N₃S

SMILES

CN(C)CC1=CSC(=N1)N

InChI

InChI=1S/C6H11N3S/c1-9(2)3-5-4-10-6(7)8-5/h4H,3H2,1-2H3,(H2,7,8)

InChIKey

HYQAPLLDHDEUSD-UHFFFAOYSA-N

Compound name

4-[(dimethylamino)methyl]-1,3-thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 157.06737 Da
Monoisotopic Mass: 0.5
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]+	158.074646	131.2
[M+Na]+	180.056588	139.6
[M-H]-	156.060094	135.1
[M+NH4]+	175.101193	153.3
[M+K]+	196.030528	138.5
[M+H-H2O]+	140.064630	124.5
[M+HCOO]-	202.065571	152.6
[M+CH3COO]-	216.081221	182.4
[M+Na-2H]-	178.042036	133.5
[M]+	157.06682142	132.6
[M]-	157.06791858	132.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe