CID 3993025

[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methanamine

Structural Information

Molecular Formula
C11H12N2OS
SMILES
COC1=CC=C(C=C1)C2=CSC(=N2)CN
InChI
InChI=1S/C11H12N2OS/c1-14-9-4-2-8(3-5-9)10-7-15-11(6-12)13-10/h2-5,7H,6,12H2,1H3
InChIKey
FXYCGCXTHCHQNI-UHFFFAOYSA-N
Compound name
[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.06703 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.074306 146.1
[M+Na]+ 243.056248 155.6
[M-H]- 219.059754 152.0
[M+NH4]+ 238.100853 165.5
[M+K]+ 259.030188 151.7
[M+H-H2O]+ 203.064290 139.2
[M+HCOO]- 265.065231 166.7
[M+CH3COO]- 279.080881 187.8
[M+Na-2H]- 241.041696 148.2
[M]+ 220.06648142 148.4
[M]- 220.06757858 148.4
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.