CID 20773071

Phenyl(1,3-thiazol-2-yl)methanamine

Structural Information

Molecular Formula
C10H10N2S
SMILES
C1=CC=C(C=C1)C(C2=NC=CS2)N
InChI
InChI=1S/C10H10N2S/c11-9(10-12-6-7-13-10)8-4-2-1-3-5-8/h1-7,9H,11H2
InChIKey
RNIPFQCVVHTZST-UHFFFAOYSA-N
Compound name
phenyl(1,3-thiazol-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

190.05647 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.06375 138.7
[M+Na]+ 213.04569 146.8
[M-H]- 189.04919 144.2
[M+NH4]+ 208.09029 158.7
[M+K]+ 229.01963 143.1
[M+H-H2O]+ 173.05373 131.8
[M+HCOO]- 235.05467 158.4
[M+CH3COO]- 249.07032 152.0
[M+Na-2H]- 211.03114 141.6
[M]+ 190.05592 137.9
[M]- 190.05702 137.9
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

patents stripe