CID 3066330

Tr 426

Structural Information

Molecular Formula
C17H36N2O
SMILES
CCCCCCCC(C)(C)NC(=O)CCN(CC)CC
InChI
InChI=1S/C17H36N2O/c1-6-9-10-11-12-14-17(4,5)18-16(20)13-15-19(7-2)8-3/h6-15H2,1-5H3,(H,18,20)
InChIKey
ZFBFIAZFMLRMNE-UHFFFAOYSA-N
Compound name
3-(diethylamino)-N-(2-methylnonan-2-yl)propanamide
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 179.3
[M+Na]+ 307.27200 181.0
[M-H]- 283.27550 179.3
[M+NH4]+ 302.31660 195.4
[M+K]+ 323.24594 180.0
[M+H-H2O]+ 267.28004 172.4
[M+HCOO]- 329.28098 199.9
[M+CH3COO]- 343.29663 215.1
[M+Na-2H]- 305.25745 179.6
[M]+ 284.28223 183.9
[M]- 284.28333 183.9
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.