CID 28064153

N-[(1,3-thiazol-5-yl)methyl]cyclopropanamine hydrochloride

Structural Information

Molecular Formula

C₇H₁₀N₂S

SMILES

C1CC1NCC2=CN=CS2

InChI

InChI=1S/C7H10N2S/c1-2-6(1)9-4-7-3-8-5-10-7/h3,5-6,9H,1-2,4H2

InChIKey

UFKTVLAFAKBFST-UHFFFAOYSA-N

Compound name

N-(1,3-thiazol-5-ylmethyl)cyclopropanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 154.05647 Da
Monoisotopic Mass: 0.9
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]+	155.063746	126.4
[M+Na]+	177.045688	136.1
[M-H]-	153.049194	132.9
[M+NH4]+	172.090293	143.3
[M+K]+	193.019628	132.9
[M+H-H2O]+	137.053730	119.5
[M+HCOO]-	199.054671	147.5
[M+CH3COO]-	213.070321	140.2
[M+Na-2H]-	175.031136	130.9
[M]+	154.05592142	129.4
[M]-	154.05701858	129.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe