CID 3066332

Tr 377

Structural Information

Molecular Formula
C17H36N2O
SMILES
CCCC(C(=O)NC(C)(C)CC(C)(C)C)N(CC)CC
InChI
InChI=1S/C17H36N2O/c1-9-12-14(19(10-2)11-3)15(20)18-17(7,8)13-16(4,5)6/h14H,9-13H2,1-8H3,(H,18,20)
InChIKey
HUISHBORBMHYIC-UHFFFAOYSA-N
Compound name
2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.28278 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.29006 177.2
[M+Na]+ 307.27200 179.3
[M-H]- 283.27550 177.8
[M+NH4]+ 302.31660 193.6
[M+K]+ 323.24594 179.4
[M+H-H2O]+ 267.28004 171.4
[M+HCOO]- 329.28098 195.4
[M+CH3COO]- 343.29663 215.7
[M+Na-2H]- 305.25745 177.5
[M]+ 284.28223 180.7
[M]- 284.28333 180.7
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.