CID 3147256

42517-23-7

Structural Information

Molecular Formula
C10H12N2S
SMILES
CC(C)C1=NC2=C(S1)C=C(C=C2)N
InChI
InChI=1S/C10H12N2S/c1-6(2)10-12-8-4-3-7(11)5-9(8)13-10/h3-6H,11H2,1-2H3
InChIKey
HWXYBXYFYWOVAS-UHFFFAOYSA-N
Compound name
2-propan-2-yl-1,3-benzothiazol-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

21
Patents

192.07211 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.07939 138.9
[M+Na]+ 215.06133 149.7
[M-H]- 191.06483 142.9
[M+NH4]+ 210.10593 160.9
[M+K]+ 231.03527 145.9
[M+H-H2O]+ 175.06937 133.3
[M+HCOO]- 237.07031 158.2
[M+CH3COO]- 251.08596 153.0
[M+Na-2H]- 213.04678 142.0
[M]+ 192.07156 141.7
[M]- 192.07266 141.7
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

patents stripe