CID 15034992

112086-66-5

Structural Information

Molecular Formula

C₇H₁₂N₂S

SMILES

CC1=CSC(=N1)CCCN

InChI

InChI=1S/C7H12N2S/c1-6-5-10-7(9-6)3-2-4-8/h5H,2-4,8H2,1H3

InChIKey

JIXXWWDGEMQMCJ-UHFFFAOYSA-N

Compound name

3-(4-methyl-1,3-thiazol-2-yl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 156.07211 Da
Monoisotopic Mass: 1.1
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]+	157.07939	132.6
[M+Na]+	179.06133	142.9
[M+NH4]+	174.10593	141.7
[M+K]+	195.03527	136.6
[M-H]-	155.06483	134.6
[M+Na-2H]-	177.04678	137.5
[M]+	156.07156	135.0
[M]-	156.07266	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe