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]+ 159.05867 130.4
[M+Na]+ 181.04061 139.5
[M-H]- 157.04411 132.9
[M+NH4]+ 176.08521 152.2
[M+K]+ 197.01455 137.6
[M+H-H2O]+ 141.04865 124.4
[M+HCOO]- 203.04959 150.7
[M+CH3COO]- 217.06524 176.1
[M+Na-2H]- 179.02606 133.0
[M]+ 158.05084 132.8
[M]- 158.05194 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.