CID 62653717

[(5-ethyl-1,3-thiazol-2-yl)methyl](methyl)amine

Structural Information

Molecular Formula
C7H12N2S
SMILES
CCC1=CN=C(S1)CNC
InChI
InChI=1S/C7H12N2S/c1-3-6-4-9-7(10-6)5-8-2/h4,8H,3,5H2,1-2H3
InChIKey
ALJUOGJXOAGTPY-UHFFFAOYSA-N
Compound name
1-(5-ethyl-1,3-thiazol-2-yl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

156.07211 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.079386 131.3
[M+Na]+ 179.061328 140.1
[M-H]- 155.064834 134.2
[M+NH4]+ 174.105933 153.5
[M+K]+ 195.035268 137.9
[M+H-H2O]+ 139.069370 125.2
[M+HCOO]- 201.070311 151.7
[M+CH3COO]- 215.085961 177.8
[M+Na-2H]- 177.046776 134.3
[M]+ 156.07156142 133.6
[M]- 156.07265858 133.6
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