CID 28948312

[2-(methoxymethyl)-1,3-thiazol-4-yl]methanamine

Structural Information

Molecular Formula
C6H10N2OS
SMILES
COCC1=NC(=CS1)CN
InChI
InChI=1S/C6H10N2OS/c1-9-3-6-8-5(2-7)4-10-6/h4H,2-3,7H2,1H3
InChIKey
BQMGHENQFGMTNV-UHFFFAOYSA-N
Compound name
[2-(methoxymethyl)-1,3-thiazol-4-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.05139 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.058666 130.4
[M+Na]+ 181.040608 139.5
[M-H]- 157.044114 132.9
[M+NH4]+ 176.085213 152.2
[M+K]+ 197.014548 137.6
[M+H-H2O]+ 141.048650 124.4
[M+HCOO]- 203.049591 150.7
[M+CH3COO]- 217.065241 176.1
[M+Na-2H]- 179.026056 133.0
[M]+ 158.05084142 132.8
[M]- 158.05193858 132.8
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.