CID 71755517

Methyl 4-(decylamino)butanoate hydrochloride

Structural Information

Molecular Formula
C15H31NO2
SMILES
CCCCCCCCCCNCCCC(=O)OC
InChI
InChI=1S/C15H31NO2/c1-3-4-5-6-7-8-9-10-13-16-14-11-12-15(17)18-2/h16H,3-14H2,1-2H3
InChIKey
CEUCCELHZGZNKR-UHFFFAOYSA-N
Compound name
methyl 4-(decylamino)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

257.23547 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.242746 169.4
[M+Na]+ 280.224688 172.0
[M-H]- 256.228194 168.0
[M+NH4]+ 275.269293 186.1
[M+K]+ 296.198628 170.2
[M+H-H2O]+ 240.232730 162.6
[M+HCOO]- 302.233671 190.9
[M+CH3COO]- 316.249321 202.4
[M+Na-2H]- 278.210136 170.5
[M]+ 257.23492142 174.7
[M]- 257.23601858 174.7
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