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
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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]+ 141.11482 129.2
[M+Na]+ 163.09676 141.9
[M+NH4]+ 158.14136 138.7
[M+K]+ 179.07070 137.6
[M-H]- 139.10026 131.7
[M+Na-2H]- 161.08221 135.4
[M]+ 140.10699 131.8
[M]- 140.10809 131.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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