CID 440932

1-methylpyrrolinium

Structural Information

Molecular Formula
C5H10N
SMILES
C[N+]1=CCCC1
InChI
InChI=1S/C5H10N/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3/q+1
InChIKey
FDWZAOGDOVQOLD-UHFFFAOYSA-N
Compound name
1-methyl-3,4-dihydro-2H-pyrrol-1-ium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

240
Patents

84.08132 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 85.088596 114.6
[M+Na]+ 107.07054 122.7
[M-H]- 83.074044 117.2
[M+NH4]+ 102.11514 138.7
[M+K]+ 123.04448 117.2
[M+H-H2O]+ 67.078580 112.0
[M+HCOO]- 129.07952 138.3
[M+CH3COO]- 143.09517 156.2
[M+Na-2H]- 105.05599 124.0
[M]+ 84.080771 111.6
[M]- 84.081869 111.6
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

patents stripe