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 158.9
[M+Na]+ 286.10497 165.2
[M-H]- 262.10847 164.0
[M+NH4]+ 281.14957 175.7
[M+K]+ 302.07891 163.4
[M+H-H2O]+ 246.11301 151.2
[M+HCOO]- 308.11395 180.2
[M+CH3COO]- 322.12960 194.2
[M+Na-2H]- 284.09042 160.1
[M]+ 263.11520 160.9
[M]- 263.11630 160.9
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.