CID 1479770

1011-41-2

Structural Information

Molecular Formula
C8H10N2O2S
SMILES
C1COCCN1C2=NC=C(S2)C=O
InChI
InChI=1S/C8H10N2O2S/c11-6-7-5-9-8(13-7)10-1-3-12-4-2-10/h5-6H,1-4H2
InChIKey
VDZWHWVAMDQEBT-UHFFFAOYSA-N
Compound name
2-morpholin-4-yl-1,3-thiazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

109
Patents

198.0463 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.05358 139.8
[M+Na]+ 221.03552 147.8
[M-H]- 197.03902 144.5
[M+NH4]+ 216.08012 157.4
[M+K]+ 237.00946 146.7
[M+H-H2O]+ 181.04356 132.8
[M+HCOO]- 243.04450 155.0
[M+CH3COO]- 257.06015 152.6
[M+Na-2H]- 219.02097 142.1
[M]+ 198.04575 139.8
[M]- 198.04685 139.8
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

patents stripe