CID 73994620

N-[(4-methylmorpholin-2-yl)methyl]-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C9H15N3OS
SMILES
CN1CCOC(C1)CNC2=NC=CS2
InChI
InChI=1S/C9H15N3OS/c1-12-3-4-13-8(7-12)6-11-9-10-2-5-14-9/h2,5,8H,3-4,6-7H2,1H3,(H,10,11)
InChIKey
ZGXKOJCCDSYBKF-UHFFFAOYSA-N
Compound name
N-[(4-methylmorpholin-2-yl)methyl]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

213.09358 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.10086 145.1
[M+Na]+ 236.08280 151.6
[M-H]- 212.08630 149.5
[M+NH4]+ 231.12740 161.9
[M+K]+ 252.05674 150.1
[M+H-H2O]+ 196.09084 137.5
[M+HCOO]- 258.09178 160.6
[M+CH3COO]- 272.10743 157.0
[M+Na-2H]- 234.06825 147.5
[M]+ 213.09303 144.0
[M]- 213.09413 144.0
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