CID 62222760

Akos011504688

Structural Information

Molecular Formula
C15H31NO2
SMILES
CCCCCCCCCCN(C)CCCC(=O)O
InChI
InChI=1S/C15H31NO2/c1-3-4-5-6-7-8-9-10-13-16(2)14-11-12-15(17)18/h3-14H2,1-2H3,(H,17,18)
InChIKey
ZDFBEHUMOHDVJC-UHFFFAOYSA-N
Compound name
4-[decyl(methyl)amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.23547 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.242746 170.0
[M+Na]+ 280.224688 172.4
[M-H]- 256.228194 168.7
[M+NH4]+ 275.269293 186.6
[M+K]+ 296.198628 171.0
[M+H-H2O]+ 240.232730 163.3
[M+HCOO]- 302.233671 190.5
[M+CH3COO]- 316.249321 203.8
[M+Na-2H]- 278.210136 169.9
[M]+ 257.23492142 174.8
[M]- 257.23601858 174.8
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.