CID 296289

92671-73-3

Structural Information

Molecular Formula
C13H25NO3
SMILES
CCCCC(CCCC)(C(=O)N)C(=O)OCC
InChI
InChI=1S/C13H25NO3/c1-4-7-9-13(11(14)15,10-8-5-2)12(16)17-6-3/h4-10H2,1-3H3,(H2,14,15)
InChIKey
FMILPAHYEMMAEG-UHFFFAOYSA-N
Compound name
ethyl 2-butyl-2-carbamoylhexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.18344 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.190716 161.8
[M+Na]+ 266.172658 165.9
[M-H]- 242.176164 160.7
[M+NH4]+ 261.217263 178.9
[M+K]+ 282.146598 165.0
[M+H-H2O]+ 226.180700 156.2
[M+HCOO]- 288.181641 181.4
[M+CH3COO]- 302.197291 197.9
[M+Na-2H]- 264.158106 162.7
[M]+ 243.18289142 165.0
[M]- 243.18398858 165.0
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.