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]+ 221.07431 146.1
[M+Na]+ 243.05625 155.6
[M-H]- 219.05975 152.0
[M+NH4]+ 238.10085 165.5
[M+K]+ 259.03019 151.7
[M+H-H2O]+ 203.06429 139.2
[M+HCOO]- 265.06523 166.7
[M+CH3COO]- 279.08088 187.8
[M+Na-2H]- 241.04170 148.2
[M]+ 220.06648 148.4
[M]- 220.06758 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.