CID 2326306

5-(morpholin-4-yl)thiophene-2-carboxaldehyde

Structural Information

Molecular Formula
C9H11NO2S
SMILES
C1COCCN1C2=CC=C(S2)C=O
InChI
InChI=1S/C9H11NO2S/c11-7-8-1-2-9(13-8)10-3-5-12-6-4-10/h1-2,7H,3-6H2
InChIKey
MWCGENRKAMIZLZ-UHFFFAOYSA-N
Compound name
5-morpholin-4-ylthiophene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

58
Patents

197.05106 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.058336 140.2
[M+Na]+ 220.040278 147.8
[M-H]- 196.043784 146.2
[M+NH4]+ 215.084883 159.2
[M+K]+ 236.014218 146.6
[M+H-H2O]+ 180.048320 134.0
[M+HCOO]- 242.049261 156.4
[M+CH3COO]- 256.064911 178.7
[M+Na-2H]- 218.025726 142.3
[M]+ 197.05051142 140.1
[M]- 197.05160858 140.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe