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

151
Patents

220.06703 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.07431 146.3
[M+Na]+ 243.05625 156.2
[M-H]- 219.05975 151.2
[M+NH4]+ 238.10085 165.3
[M+K]+ 259.03019 151.3
[M+H-H2O]+ 203.06429 139.9
[M+HCOO]- 265.06523 165.3
[M+CH3COO]- 279.08088 186.4
[M+Na-2H]- 241.04170 147.3
[M]+ 220.06648 147.2
[M]- 220.06758 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.