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]+ 207.095046 144.7
[M+Na]+ 229.076988 154.9
[M-H]- 205.080494 148.4
[M+NH4]+ 224.121593 166.0
[M+K]+ 245.050928 150.8
[M+H-H2O]+ 189.085030 139.1
[M+HCOO]- 251.085971 163.3
[M+CH3COO]- 265.101621 186.5
[M+Na-2H]- 227.062436 149.8
[M]+ 206.08722142 147.6
[M]- 206.08831858 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.