CID 26722593

915920-14-8

Structural Information

Molecular Formula

C₇H₁₀N₂S

SMILES

C1CC1NCC2=NC=CS2

InChI

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

InChIKey

ACDDRSZQTWAHFC-UHFFFAOYSA-N

Compound name

N-(1,3-thiazol-2-ylmethyl)cyclopropanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
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]+	155.06375	126.4
[M+Na]+	177.04569	136.1
[M-H]-	153.04919	132.9
[M+NH4]+	172.09029	143.3
[M+K]+	193.01963	132.9
[M+H-H2O]+	137.05373	119.5
[M+HCOO]-	199.05467	147.5
[M+CH3COO]-	213.07032	140.2
[M+Na-2H]-	175.03114	130.9
[M]+	154.05592	129.4
[M]-	154.05702	129.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe