CID 3506452

(5-methyl-4-phenyl-1,3-thiazol-2-yl)methanamine

Structural Information

Molecular Formula
C11H12N2S
SMILES
CC1=C(N=C(S1)CN)C2=CC=CC=C2
InChI
InChI=1S/C11H12N2S/c1-8-11(13-10(7-12)14-8)9-5-3-2-4-6-9/h2-6H,7,12H2,1H3
InChIKey
ADGXGFFYNHQZLU-UHFFFAOYSA-N
Compound name
(5-methyl-4-phenyl-1,3-thiazol-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

204.07211 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.07939 142.6
[M+Na]+ 227.06133 152.3
[M-H]- 203.06483 148.6
[M+NH4]+ 222.10593 162.7
[M+K]+ 243.03527 147.8
[M+H-H2O]+ 187.06937 135.9
[M+HCOO]- 249.07031 162.9
[M+CH3COO]- 263.08596 156.3
[M+Na-2H]- 225.04678 144.6
[M]+ 204.07156 143.5
[M]- 204.07266 143.5
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

No patent data available for this compound.