CID 14274898

4-carboxy-n,n,n-trimethyl-1-butanaminium chloride

Structural Information

Molecular Formula
C8H18NO2
SMILES
C[N+](C)(C)CCCCC(=O)O
InChI
InChI=1S/C8H17NO2/c1-9(2,3)7-5-4-6-8(10)11/h4-7H2,1-3H3/p+1
InChIKey
CDLVFVFTRQPQFU-UHFFFAOYSA-O
Compound name
4-carboxybutyl(trimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

19
Patents

160.13376 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.141036 133.9
[M+Na]+ 183.122978 140.0
[M-H]- 159.126484 134.5
[M+NH4]+ 178.167583 154.7
[M+K]+ 199.096918 134.7
[M+H-H2O]+ 143.131020 132.4
[M+HCOO]- 205.131961 155.9
[M+CH3COO]- 219.147611 175.2
[M+Na-2H]- 181.108426 142.2
[M]+ 160.13321142 134.4
[M]- 160.13430858 134.4
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

patents stripe