CID 89689566

2825012-26-6

Structural Information

Molecular Formula
C11H12N2OS
SMILES
CC1=C(SC=N1)C2=CC(=C(C=C2)CN)O
InChI
InChI=1S/C11H12N2OS/c1-7-11(15-6-13-7)8-2-3-9(5-12)10(14)4-8/h2-4,6,14H,5,12H2,1H3
InChIKey
FEERNGCQHPIBTC-UHFFFAOYSA-N
Compound name
2-(aminomethyl)-5-(4-methyl-1,3-thiazol-5-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

156
Patents

220.06703 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.074306 146.3
[M+Na]+ 243.056248 156.2
[M-H]- 219.059754 151.2
[M+NH4]+ 238.100853 165.3
[M+K]+ 259.030188 151.3
[M+H-H2O]+ 203.064290 139.9
[M+HCOO]- 265.065231 165.3
[M+CH3COO]- 279.080881 186.4
[M+Na-2H]- 241.041696 147.3
[M]+ 220.06648142 147.2
[M]- 220.06757858 147.2
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