CID 2517806

760183-53-7

Structural Information

Molecular Formula
C14H17NO4
SMILES
COC1=C(C=CC(=C1)C=O)OCC(=O)N2CCCC2
InChI
InChI=1S/C14H17NO4/c1-18-13-8-11(9-16)4-5-12(13)19-10-14(17)15-6-2-3-7-15/h4-5,8-9H,2-3,6-7,10H2,1H3
InChIKey
WQPVWMPVTAJJCJ-UHFFFAOYSA-N
Compound name
3-methoxy-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

263.11575 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.12303 160.5
[M+Na]+ 286.10497 170.9
[M+NH4]+ 281.14957 166.9
[M+K]+ 302.07891 167.3
[M-H]- 262.10847 161.8
[M+Na-2H]- 284.09042 165.2
[M]+ 263.11520 162.0
[M]- 263.11630 162.0
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

No patent data available for this compound.