CID 53691024

2-(morpholin-3-yl)-1,3-benzothiazole hydrochloride

Structural Information

Molecular Formula
C11H12N2OS
SMILES
C1COCC(N1)C2=NC3=CC=CC=C3S2
InChI
InChI=1S/C11H12N2OS/c1-2-4-10-8(3-1)13-11(15-10)9-7-14-6-5-12-9/h1-4,9,12H,5-7H2
InChIKey
HTRYLKRMWMMOGW-UHFFFAOYSA-N
Compound name
3-(1,3-benzothiazol-2-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.06703 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.07431 143.4
[M+Na]+ 243.05625 152.3
[M-H]- 219.05975 147.8
[M+NH4]+ 238.10085 160.6
[M+K]+ 259.03019 148.8
[M+H-H2O]+ 203.06429 136.6
[M+HCOO]- 265.06523 157.3
[M+CH3COO]- 279.08088 155.7
[M+Na-2H]- 241.04170 147.9
[M]+ 220.06648 142.4
[M]- 220.06758 142.4
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.