CID 3066085

Tr 367

Structural Information

Molecular Formula
C16H34N2O
SMILES
CCC(C(=O)NC(C)(C)CC(C)(C)C)N(CC)CC
InChI
InChI=1S/C16H34N2O/c1-9-13(18(10-2)11-3)14(19)17-16(7,8)12-15(4,5)6/h13H,9-12H2,1-8H3,(H,17,19)
InChIKey
RIDZVBULQLZTPR-UHFFFAOYSA-N
Compound name
2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.26712 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.27440 172.6
[M+Na]+ 293.25634 178.1
[M+NH4]+ 288.30094 178.0
[M+K]+ 309.23028 174.7
[M-H]- 269.25984 171.1
[M+Na-2H]- 291.24179 173.3
[M]+ 270.26657 172.7
[M]- 270.26767 172.7
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

No patent data available for this compound.