CID 53423486

85030-12-2

Structural Information

Molecular Formula
C11H14N2O2S
SMILES
CN(CCO)CN1C(=O)C2=CC=CC=C2S1
InChI
InChI=1S/C11H14N2O2S/c1-12(6-7-14)8-13-11(15)9-4-2-3-5-10(9)16-13/h2-5,14H,6-8H2,1H3
InChIKey
ZFGLHALAVZEHQD-UHFFFAOYSA-N
Compound name
2-[[2-hydroxyethyl(methyl)amino]methyl]-1,2-benzothiazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.0776 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.084876 149.6
[M+Na]+ 261.066818 159.8
[M-H]- 237.070324 153.9
[M+NH4]+ 256.111423 169.7
[M+K]+ 277.040758 156.5
[M+H-H2O]+ 221.074860 143.4
[M+HCOO]- 283.075801 169.8
[M+CH3COO]- 297.091451 192.1
[M+Na-2H]- 259.052266 153.4
[M]+ 238.07705142 155.8
[M]- 238.07814858 155.8
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.