CID 21333999

(5-methyl-1,3-benzothiazol-2-yl)methanol

Structural Information

Molecular Formula
C9H9NOS
SMILES
CC1=CC2=C(C=C1)SC(=N2)CO
InChI
InChI=1S/C9H9NOS/c1-6-2-3-8-7(4-6)10-9(5-11)12-8/h2-4,11H,5H2,1H3
InChIKey
GNRRZNYKSUFWTH-UHFFFAOYSA-N
Compound name
(5-methyl-1,3-benzothiazol-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

179.04048 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.04776 133.4
[M+Na]+ 202.02970 145.4
[M-H]- 178.03320 136.8
[M+NH4]+ 197.07430 155.9
[M+K]+ 218.00364 141.5
[M+H-H2O]+ 162.03774 128.5
[M+HCOO]- 224.03868 152.6
[M+CH3COO]- 238.05433 148.1
[M+Na-2H]- 200.01515 138.3
[M]+ 179.03993 137.8
[M]- 179.04103 137.8
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

patents stripe