CID 853785

Alpha-(2-thiazolylamino)-o-cresol

Structural Information

Molecular Formula
C10H10N2OS
SMILES
C1=CC=C(C(=C1)CNC2=NC=CS2)O
InChI
InChI=1S/C10H10N2OS/c13-9-4-2-1-3-8(9)7-12-10-11-5-6-14-10/h1-6,13H,7H2,(H,11,12)
InChIKey
FUVLIIWCXQIRQM-UHFFFAOYSA-N
Compound name
2-[(1,3-thiazol-2-ylamino)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

3
Patents

206.05139 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.05867 141.2
[M+Na]+ 229.04061 149.8
[M-H]- 205.04411 146.0
[M+NH4]+ 224.08521 160.3
[M+K]+ 245.01455 145.5
[M+H-H2O]+ 189.04865 134.4
[M+HCOO]- 251.04959 161.2
[M+CH3COO]- 265.06524 154.3
[M+Na-2H]- 227.02606 145.1
[M]+ 206.05084 141.8
[M]- 206.05194 141.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe