CID 461525

2-(3-amino-3-methylbutyl)benzo[d]1,3,2-dithiazolin-1-one

Structural Information

Molecular Formula
C11H16N2OS2
SMILES
CC(C)(CCN1SC2=CC=CC=C2S1=O)N
InChI
InChI=1S/C11H16N2OS2/c1-11(2,12)7-8-13-15-9-5-3-4-6-10(9)16(13)14/h3-6H,7-8,12H2,1-2H3
InChIKey
GCLKTNVLGASTRL-UHFFFAOYSA-N
Compound name
2-methyl-4-(1-oxo-1lambda4,3,2-benzodithiazol-2-yl)butan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

256.0704 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.07768 155.6
[M+Na]+ 279.05962 164.6
[M-H]- 255.06312 158.1
[M+NH4]+ 274.10422 174.9
[M+K]+ 295.03356 159.6
[M+H-H2O]+ 239.06766 150.4
[M+HCOO]- 301.06860 166.0
[M+CH3COO]- 315.08425 194.1
[M+Na-2H]- 277.04507 156.7
[M]+ 256.06985 157.7
[M]- 256.07095 157.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.