CID 50989297

4-(methoxymethyl)-1,3-benzothiazol-2-amine

Structural Information

Molecular Formula
C9H10N2OS
SMILES
COCC1=C2C(=CC=C1)SC(=N2)N
InChI
InChI=1S/C9H10N2OS/c1-12-5-6-3-2-4-7-8(6)11-9(10)13-7/h2-4H,5H2,1H3,(H2,10,11)
InChIKey
JKVJADAMNCFLFD-UHFFFAOYSA-N
Compound name
4-(methoxymethyl)-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.05139 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.058666 137.1
[M+Na]+ 217.040608 148.5
[M-H]- 193.044114 141.2
[M+NH4]+ 212.085213 159.0
[M+K]+ 233.014548 144.9
[M+H-H2O]+ 177.048650 131.3
[M+HCOO]- 239.049591 158.1
[M+CH3COO]- 253.065241 151.6
[M+Na-2H]- 215.026056 141.9
[M]+ 194.05084142 141.5
[M]- 194.05193858 141.5
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.