CID 4584055

65913-05-5

Structural Information

Molecular Formula

C₁₀H₁₄N₂S

SMILES

C=CCNC1=NC2=C(S1)CCCC2

InChI

InChI=1S/C10H14N2S/c1-2-7-11-10-12-8-5-3-4-6-9(8)13-10/h2H,1,3-7H2,(H,11,12)

InChIKey

KDHVJBSMFAZRHD-UHFFFAOYSA-N

Compound name

N-prop-2-enyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 194.08777 Da
Monoisotopic Mass: 3.0
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]+	195.09505	141.8
[M+Na]+	217.07699	152.1
[M+NH4]+	212.12159	151.5
[M+K]+	233.05093	144.6
[M-H]-	193.08049	144.4
[M+Na-2H]-	215.06244	146.3
[M]+	194.08722	144.3
[M]-	194.08832	144.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe