CID 12318828

2490420-62-5

Structural Information

Molecular Formula
C5H8N2OS
SMILES
COC1=NSC(=C1)CN
InChI
InChI=1S/C5H8N2OS/c1-8-5-2-4(3-6)9-7-5/h2H,3,6H2,1H3
InChIKey
CCRAXFBSCLJECU-UHFFFAOYSA-N
Compound name
(3-methoxy-1,2-thiazol-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

144.03574 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.04302 126.0
[M+Na]+ 167.02496 135.5
[M-H]- 143.02846 128.7
[M+NH4]+ 162.06956 148.3
[M+K]+ 182.99890 133.9
[M+H-H2O]+ 127.03300 120.1
[M+HCOO]- 189.03394 146.6
[M+CH3COO]- 203.04959 173.1
[M+Na-2H]- 165.01041 129.1
[M]+ 144.03519 128.0
[M]- 144.03629 128.0
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