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 156.1
[M+Na]+ 274.10497 162.5
[M-H]- 250.10847 160.4
[M+NH4]+ 269.14957 169.8
[M+K]+ 290.07891 161.1
[M+H-H2O]+ 234.11301 148.1
[M+HCOO]- 296.11395 173.7
[M+CH3COO]- 310.12960 191.2
[M+Na-2H]- 272.09042 160.0
[M]+ 251.11520 156.0
[M]- 251.11630 156.0
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