CID 46785433

1211511-65-7

Structural Information

Molecular Formula
C11H14N2S
SMILES
CC(C)(CN)C1=NC2=CC=CC=C2S1
InChI
InChI=1S/C11H14N2S/c1-11(2,7-12)10-13-8-5-3-4-6-9(8)14-10/h3-6H,7,12H2,1-2H3
InChIKey
HQIWOQAXHCOMOF-UHFFFAOYSA-N
Compound name
2-(1,3-benzothiazol-2-yl)-2-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.08777 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.09505 144.7
[M+Na]+ 229.07699 154.9
[M-H]- 205.08049 148.4
[M+NH4]+ 224.12159 166.0
[M+K]+ 245.05093 150.8
[M+H-H2O]+ 189.08503 139.1
[M+HCOO]- 251.08597 163.3
[M+CH3COO]- 265.10162 186.5
[M+Na-2H]- 227.06244 149.8
[M]+ 206.08722 147.6
[M]- 206.08832 147.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.