CID 7164584

3-morpholinobenzaldehyde

Structural Information

Molecular Formula
C11H13NO2
SMILES
C1COCCN1C2=CC=CC(=C2)C=O
InChI
InChI=1S/C11H13NO2/c13-9-10-2-1-3-11(8-10)12-4-6-14-7-5-12/h1-3,8-9H,4-7H2
InChIKey
LQORKFSMUOSSQM-UHFFFAOYSA-N
Compound name
3-morpholin-4-ylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

170
Patents

191.09464 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 140.4
[M+Na]+ 214.08386 146.5
[M-H]- 190.08736 145.7
[M+NH4]+ 209.12846 156.9
[M+K]+ 230.05780 145.3
[M+H-H2O]+ 174.09190 132.6
[M+HCOO]- 236.09284 159.9
[M+CH3COO]- 250.10849 181.0
[M+Na-2H]- 212.06931 147.3
[M]+ 191.09409 137.8
[M]- 191.09519 137.8
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