CID 24708975

1-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethyl-1h-pyrrole-3-carbaldehyde

Structural Information

Molecular Formula
C14H22N2O
SMILES
CCN1CCCC1CN2C(=CC(=C2C)C=O)C
InChI
InChI=1S/C14H22N2O/c1-4-15-7-5-6-14(15)9-16-11(2)8-13(10-17)12(16)3/h8,10,14H,4-7,9H2,1-3H3
InChIKey
BPXZUWKZDAPQMP-UHFFFAOYSA-N
Compound name
1-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethylpyrrole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.17322 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.18050 157.7
[M+Na]+ 257.16244 168.3
[M+NH4]+ 252.20704 165.1
[M+K]+ 273.13638 165.4
[M-H]- 233.16594 159.3
[M+Na-2H]- 255.14789 161.4
[M]+ 234.17267 159.4
[M]- 234.17377 159.4
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

No patent data available for this compound.