CID 43305019

(5-methyl-1,3-benzothiazol-2-yl)methanamine dihydrochloride

Structural Information

Molecular Formula
C9H10N2S
SMILES
CC1=CC2=C(C=C1)SC(=N2)CN
InChI
InChI=1S/C9H10N2S/c1-6-2-3-8-7(4-6)11-9(5-10)12-8/h2-4H,5,10H2,1H3
InChIKey
BMLGUZWANSIWRN-UHFFFAOYSA-N
Compound name
(5-methyl-1,3-benzothiazol-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

178.05647 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.06375 133.6
[M+Na]+ 201.04569 145.2
[M-H]- 177.04919 137.7
[M+NH4]+ 196.09029 156.3
[M+K]+ 217.01963 141.1
[M+H-H2O]+ 161.05373 128.1
[M+HCOO]- 223.05467 154.4
[M+CH3COO]- 237.07032 148.3
[M+Na-2H]- 199.03114 138.4
[M]+ 178.05592 136.7
[M]- 178.05702 136.7
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