CID 86650820

4-(morpholin-4-ylmethyl)-1h-pyrrole-2-carbaldehyde

Structural Information

Molecular Formula
C10H14N2O2
SMILES
C1COCCN1CC2=CNC(=C2)C=O
InChI
InChI=1S/C10H14N2O2/c13-8-10-5-9(6-11-10)7-12-1-3-14-4-2-12/h5-6,8,11H,1-4,7H2
InChIKey
PHQUVWAXOLMNRU-UHFFFAOYSA-N
Compound name
4-(morpholin-4-ylmethyl)-1H-pyrrole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

194.10553 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.112806 142.6
[M+Na]+ 217.094748 148.5
[M-H]- 193.098254 145.1
[M+NH4]+ 212.139353 158.6
[M+K]+ 233.068688 146.7
[M+H-H2O]+ 177.102790 134.7
[M+HCOO]- 239.103731 160.3
[M+CH3COO]- 253.119381 178.1
[M+Na-2H]- 215.080196 146.6
[M]+ 194.10498142 139.0
[M]- 194.10607858 139.0
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