CID 47002323

2-(1,3-benzothiazol-2-yl)propan-1-amine dihydrochloride

Structural Information

Molecular Formula
C10H12N2S
SMILES
CC(CN)C1=NC2=CC=CC=C2S1
InChI
InChI=1S/C10H12N2S/c1-7(6-11)10-12-8-4-2-3-5-9(8)13-10/h2-5,7H,6,11H2,1H3
InChIKey
WIIVAHYWRITMRE-UHFFFAOYSA-N
Compound name
2-(1,3-benzothiazol-2-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

192.07211 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.07939 138.9
[M+Na]+ 215.06133 148.8
[M-H]- 191.06483 142.5
[M+NH4]+ 210.10593 160.5
[M+K]+ 231.03527 145.0
[M+H-H2O]+ 175.06937 132.9
[M+HCOO]- 237.07031 158.3
[M+CH3COO]- 251.08596 152.6
[M+Na-2H]- 213.04678 142.7
[M]+ 192.07156 141.3
[M]- 192.07266 141.3
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

patents stripe