CID 7131974

2-(5-chloro-1,3-benzothiazol-2-yl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C9H9ClN2S
SMILES
C1=CC2=C(C=C1Cl)N=C(S2)CCN
InChI
InChI=1S/C9H9ClN2S/c10-6-1-2-8-7(5-6)12-9(13-8)3-4-11/h1-2,5H,3-4,11H2
InChIKey
WLRNHOUULSVXDQ-UHFFFAOYSA-N
Compound name
2-(5-chloro-1,3-benzothiazol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

212.0175 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.024776 140.8
[M+Na]+ 235.006718 153.0
[M-H]- 211.010224 144.7
[M+NH4]+ 230.051323 162.8
[M+K]+ 250.980658 147.2
[M+H-H2O]+ 195.014760 135.9
[M+HCOO]- 257.015701 156.8
[M+CH3COO]- 271.031351 155.0
[M+Na-2H]- 232.992166 145.0
[M]+ 212.01695142 145.6
[M]- 212.01804858 145.6
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

patents stripe