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]+ 229.227446 159.3
[M+Na]+ 251.209388 163.3
[M-H]- 227.212894 160.6
[M+NH4]+ 246.253993 178.0
[M+K]+ 267.183328 163.9
[M+H-H2O]+ 211.217430 154.1
[M+HCOO]- 273.218371 179.8
[M+CH3COO]- 287.234021 202.9
[M+Na-2H]- 249.194836 162.8
[M]+ 228.21962142 161.9
[M]- 228.22071858 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.