CID 25202

Ammonium, (6-(2-oxo-1-pyrrolidinyl)hexyl)trimethyl-, iodide

Structural Information

Molecular Formula
C13H27N2O
SMILES
C[N+](C)(C)CCCCCCN1CCCC1=O
InChI
InChI=1S/C13H27N2O/c1-15(2,3)12-7-5-4-6-10-14-11-8-9-13(14)16/h4-12H2,1-3H3/q+1
InChIKey
FLJPJZBLHFPHTH-UHFFFAOYSA-N
Compound name
trimethyl-[6-(2-oxopyrrolidin-1-yl)hexyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.21234 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.21962 155.8
[M+Na]+ 250.20156 160.5
[M-H]- 226.20506 158.6
[M+NH4]+ 245.24616 175.0
[M+K]+ 266.17550 153.7
[M+H-H2O]+ 210.20960 151.9
[M+HCOO]- 272.21054 176.5
[M+CH3COO]- 286.22619 190.3
[M+Na-2H]- 248.18701 161.2
[M]+ 227.21179 155.5
[M]- 227.21289 155.5
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.