CID 46437

N-methyl-4-(trimethylammonio)butyramide iodide

Structural Information

Molecular Formula
C8H19N2O
SMILES
CNC(=O)CCC[N+](C)(C)C
InChI
InChI=1S/C8H18N2O/c1-9-8(11)6-5-7-10(2,3)4/h5-7H2,1-4H3/p+1
InChIKey
YWEHJRNIVDSBKM-UHFFFAOYSA-O
Compound name
trimethyl-[4-(methylamino)-4-oxobutyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.14973 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.15701 134.8
[M+Na]+ 182.13895 145.3
[M+NH4]+ 177.18355 143.5
[M+K]+ 198.11289 141.1
[M-H]- 158.14245 136.8
[M+Na-2H]- 180.12440 139.7
[M]+ 159.14918 137.0
[M]- 159.15028 137.0
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.