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

113
Patents

198.0463 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.053576 139.8
[M+Na]+ 221.035518 147.8
[M-H]- 197.039024 144.5
[M+NH4]+ 216.080123 157.4
[M+K]+ 237.009458 146.7
[M+H-H2O]+ 181.043560 132.8
[M+HCOO]- 243.044501 155.0
[M+CH3COO]- 257.060151 152.6
[M+Na-2H]- 219.020966 142.1
[M]+ 198.04575142 139.8
[M]- 198.04684858 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