CID 3050680

2-(1-pyrrolidinylcarbonyl)veratraldehyde

Structural Information

Molecular Formula
C14H17NO4
SMILES
COC1=C(C(=C(C=C1)C=O)C(=O)N2CCCC2)OC
InChI
InChI=1S/C14H17NO4/c1-18-11-6-5-10(9-16)12(13(11)19-2)14(17)15-7-3-4-8-15/h5-6,9H,3-4,7-8H2,1-2H3
InChIKey
YUCVTWAGTNBIIP-UHFFFAOYSA-N
Compound name
3,4-dimethoxy-2-(pyrrolidine-1-carbonyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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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 160.1
[M+Na]+ 286.10497 170.9
[M+NH4]+ 281.14957 166.5
[M+K]+ 302.07891 167.5
[M-H]- 262.10847 161.4
[M+Na-2H]- 284.09042 164.6
[M]+ 263.11520 161.7
[M]- 263.11630 161.7
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.

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No patent data available for this compound.