CID 45054392

2-hydroxy-5-methoxy-3-(4-morpholinylmethyl)benzaldehyde

Structural Information

Molecular Formula
C13H17NO4
SMILES
COC1=CC(=C(C(=C1)C=O)O)CN2CCOCC2
InChI
InChI=1S/C13H17NO4/c1-17-12-6-10(13(16)11(7-12)9-15)8-14-2-4-18-5-3-14/h6-7,9,16H,2-5,8H2,1H3
InChIKey
YPGXVXQJWZTDGX-UHFFFAOYSA-N
Compound name
2-hydroxy-5-methoxy-3-(morpholin-4-ylmethyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

251.11575 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.12303 156.6
[M+Na]+ 274.10497 168.9
[M+NH4]+ 269.14957 163.4
[M+K]+ 290.07891 163.4
[M-H]- 250.10847 160.0
[M+Na-2H]- 272.09042 161.7
[M]+ 251.11520 159.2
[M]- 251.11630 159.2
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