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]+ 173.07431 134.8
[M+Na]+ 195.05625 143.5
[M-H]- 171.05975 137.1
[M+NH4]+ 190.10085 156.1
[M+K]+ 211.03019 141.3
[M+H-H2O]+ 155.06429 128.6
[M+HCOO]- 217.06523 154.8
[M+CH3COO]- 231.08088 179.1
[M+Na-2H]- 193.04170 137.0
[M]+ 172.06648 137.6
[M]- 172.06758 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.