CID 169492809

N-(4-oxobutylpyrrolinium) ion

Structural Information

Molecular Formula
C8H14NO
SMILES
C1CC=[N+](C1)CCCC=O
InChI
InChI=1S/C8H14NO/c10-8-4-3-7-9-5-1-2-6-9/h5,8H,1-4,6-7H2/q+1
InChIKey
RWUWAUHULBYXFJ-UHFFFAOYSA-N
Compound name
4-(3,4-dihydro-2H-pyrrol-1-ium-1-yl)butanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.10754 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.114816 131.3
[M+Na]+ 163.096758 138.3
[M-H]- 139.100264 133.3
[M+NH4]+ 158.141363 153.0
[M+K]+ 179.070698 131.7
[M+H-H2O]+ 123.104800 127.8
[M+HCOO]- 185.105741 154.3
[M+CH3COO]- 199.121391 166.1
[M+Na-2H]- 161.082206 138.9
[M]+ 140.10699142 130.0
[M]- 140.10808858 130.0
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.