CID 106310

2h-pyrrolium, 1-ethyl-3,4-dihydro-5-methyl-, iodide

Structural Information

Molecular Formula
C7H14N
SMILES
CC[N+]1=C(CCC1)C
InChI
InChI=1S/C7H14N/c1-3-8-6-4-5-7(8)2/h3-6H2,1-2H3/q+1
InChIKey
DDKAKMNZBYWAMO-UHFFFAOYSA-N
Compound name
1-ethyl-5-methyl-3,4-dihydro-2H-pyrrol-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

112.112625 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.11990 123.3
[M+Na]+ 135.10184 131.5
[M-H]- 111.10535 126.0
[M+NH4]+ 130.14645 146.7
[M+K]+ 151.07578 125.4
[M+H-H2O]+ 95.109885 120.6
[M+HCOO]- 157.11083 146.3
[M+CH3COO]- 171.12648 163.3
[M+Na-2H]- 133.08729 130.9
[M]+ 112.11208 121.4
[M]- 112.11317 121.4
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.