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 156.6
[M+Na]+ 257.16244 164.9
[M-H]- 233.16594 160.9
[M+NH4]+ 252.20704 176.0
[M+K]+ 273.13638 161.8
[M+H-H2O]+ 217.17048 149.3
[M+HCOO]- 279.17142 177.4
[M+CH3COO]- 293.18707 194.1
[M+Na-2H]- 255.14789 154.7
[M]+ 234.17267 157.7
[M]- 234.17377 157.7
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.

Patent stripe

No patent data available for this compound.