CID 15670034

2-(dimethyl-1,3-thiazol-5-yl)ethan-1-amine

Structural Information

Molecular Formula
C7H12N2S
SMILES
CC1=C(SC(=N1)C)CCN
InChI
InChI=1S/C7H12N2S/c1-5-7(3-4-8)10-6(2)9-5/h3-4,8H2,1-2H3
InChIKey
VPRBZFPSDKDVFD-UHFFFAOYSA-N
Compound name
2-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

156.07211 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.07939 131.4
[M+Na]+ 179.06133 141.1
[M-H]- 155.06483 134.1
[M+NH4]+ 174.10593 153.6
[M+K]+ 195.03527 138.4
[M+H-H2O]+ 139.06937 125.6
[M+HCOO]- 201.07031 151.1
[M+CH3COO]- 215.08596 178.2
[M+Na-2H]- 177.04678 132.7
[M]+ 156.07156 133.1
[M]- 156.07266 133.1
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