CID 3896896

643725-71-7

Structural Information

Molecular Formula

C₇H₁₀N₂S

SMILES

C1CC1C2=CSC(=N2)CN

InChI

InChI=1S/C7H10N2S/c8-3-7-9-6(4-10-7)5-1-2-5/h4-5H,1-3,8H2

InChIKey

CQIWKLBEIZIGBA-UHFFFAOYSA-N

Compound name

(4-cyclopropyl-1,3-thiazol-2-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 154.05647 Da
Monoisotopic Mass: 0.4
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	126.0
[M+Na]+	177.045688	136.6
[M-H]-	153.049194	132.3
[M+NH4]+	172.090293	143.0
[M+K]+	193.019628	132.8
[M+H-H2O]+	137.053730	119.5
[M+HCOO]-	199.054671	146.4
[M+CH3COO]-	213.070321	139.9
[M+Na-2H]-	175.031136	129.0
[M]+	154.05592142	128.4
[M]-	154.05701858	128.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe