CID 3024639

Tr 318

Structural Information

Molecular Formula
C13H28N2O
SMILES
CC(C)(C)CC(C)(C)NC(=O)CCN(C)C
InChI
InChI=1S/C13H28N2O/c1-12(2,3)10-13(4,5)14-11(16)8-9-15(6)7/h8-10H2,1-7H3,(H,14,16)
InChIKey
BRBNHQQKNWYSTG-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.22017 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.22745 159.3
[M+Na]+ 251.20939 163.3
[M-H]- 227.21289 160.6
[M+NH4]+ 246.25399 178.0
[M+K]+ 267.18333 163.9
[M+H-H2O]+ 211.21743 154.1
[M+HCOO]- 273.21837 179.8
[M+CH3COO]- 287.23402 202.9
[M+Na-2H]- 249.19484 162.8
[M]+ 228.21962 161.9
[M]- 228.22072 161.9
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.