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]+ 235.180496 156.6
[M+Na]+ 257.162438 164.9
[M-H]- 233.165944 160.9
[M+NH4]+ 252.207043 176.0
[M+K]+ 273.136378 161.8
[M+H-H2O]+ 217.170480 149.3
[M+HCOO]- 279.171421 177.4
[M+CH3COO]- 293.187071 194.1
[M+Na-2H]- 255.147886 154.7
[M]+ 234.17267142 157.7
[M]- 234.17376858 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.