CID 595757

959026-08-5

Structural Information

Molecular Formula
C10H10N2S
SMILES
C1=CC=C(C=C1)C2=CN=C(S2)CN
InChI
InChI=1S/C10H10N2S/c11-6-10-12-7-9(13-10)8-4-2-1-3-5-8/h1-5,7H,6,11H2
InChIKey
MMPGPTYOLQERSX-UHFFFAOYSA-N
Compound name
(5-phenyl-1,3-thiazol-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

190.05647 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.063746 138.0
[M+Na]+ 213.045688 147.3
[M-H]- 189.049194 143.8
[M+NH4]+ 208.090293 158.4
[M+K]+ 229.019628 143.1
[M+H-H2O]+ 173.053730 131.2
[M+HCOO]- 235.054671 158.7
[M+CH3COO]- 249.070321 151.8
[M+Na-2H]- 211.031136 141.3
[M]+ 190.05592142 138.2
[M]- 190.05701858 138.2
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

patents stripe