CID 62929822

1216281-72-9

Structural Information

Molecular Formula
C7H12N2OS
SMILES
COCC1=NC(=CS1)CCN
InChI
InChI=1S/C7H12N2OS/c1-10-4-7-9-6(2-3-8)5-11-7/h5H,2-4,8H2,1H3
InChIKey
STIDTJSTNIVKIR-UHFFFAOYSA-N
Compound name
2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.06703 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.074306 134.8
[M+Na]+ 195.056248 143.5
[M-H]- 171.059754 137.1
[M+NH4]+ 190.100853 156.1
[M+K]+ 211.030188 141.3
[M+H-H2O]+ 155.064290 128.6
[M+HCOO]- 217.065231 154.8
[M+CH3COO]- 231.080881 179.1
[M+Na-2H]- 193.041696 137.0
[M]+ 172.06648142 137.6
[M]- 172.06757858 137.6
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

No patent data available for this compound.