CID 532801

N,n-bis(2-ethylhexyl)-2-methylpropanamide

Structural Information

Molecular Formula
C20H41NO
SMILES
CCCCC(CC)CN(CC(CC)CCCC)C(=O)C(C)C
InChI
InChI=1S/C20H41NO/c1-7-11-13-18(9-3)15-21(20(22)17(5)6)16-19(10-4)14-12-8-2/h17-19H,7-16H2,1-6H3
InChIKey
TYDFWJHDNHXBRF-UHFFFAOYSA-N
Compound name
N,N-bis(2-ethylhexyl)-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

97
Patents

311.31882 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.32610 190.7
[M+Na]+ 334.30804 191.0
[M-H]- 310.31154 190.2
[M+NH4]+ 329.35264 205.8
[M+K]+ 350.28198 190.2
[M+H-H2O]+ 294.31608 183.5
[M+HCOO]- 356.31702 207.8
[M+CH3COO]- 370.33267 221.3
[M+Na-2H]- 332.29349 184.7
[M]+ 311.31827 195.8
[M]- 311.31937 195.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe