CID 7131905

2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C10H12N2S2
SMILES
CC1=NC(=CS1)C2=CC=C(S2)CCN
InChI
InChI=1S/C10H12N2S2/c1-7-12-9(6-13-7)10-3-2-8(14-10)4-5-11/h2-3,6H,4-5,11H2,1H3
InChIKey
JNFOQNCFXSGQAK-UHFFFAOYSA-N
Compound name
2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.04419 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.051466 145.7
[M+Na]+ 247.033408 157.6
[M-H]- 223.036914 152.3
[M+NH4]+ 242.078013 167.4
[M+K]+ 263.007348 152.6
[M+H-H2O]+ 207.041450 140.1
[M+HCOO]- 269.042391 163.0
[M+CH3COO]- 283.058041 159.8
[M+Na-2H]- 245.018856 144.4
[M]+ 224.04364142 149.8
[M]- 224.04473858 149.8
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.